Geometry & MOs

Info

ID:	394477
PubChem CID:	135023042
Reduced:	O13C34H42 (1)
Stoich.:	A13B34C42 (1)
Weight, g/mol:	698.257456
ΔH_f, kcal/mol:	-523.24
Dipole, Da:	7.07
IP(EA), eV:	-9.66(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,9R)-3-[[(6S,8aR)-8-acetyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-oxo-11-phenyl-2,6,10,12-tetraoxatricyclo[7.4.0.03,7]tridecan-8-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OC1[C@H]2C(COC(O2)C3=CC=CC=C3)O[C@@H](C1O[C@@H]4C(C([C@H]5C(O4)COC(O5)C6=CC=CC=C6)OC(=O)C(C)(C)C)O)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OC1[C@H]2C(COC(O2)C3=CC=CC=C3)O[C@@H](C1O[C@@H]4C(C([C@H]5C(O4)COC(O5)C6=CC=CC=C6)OC(=O)C(C)(C)C)O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):