Geometry & MOs

Info

ID:	394279
PubChem CID:	135022673
Reduced:	NO9C23H33 (1)
Stoich.:	AB9C23D33 (1)
Weight, g/mol:	467.215532
ΔH_f, kcal/mol:	-333.12
Dipole, Da:	4.68
IP(EA), eV:	-9.62(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S,8aR)-7-hydroxy-6-methoxy-6-[2-[methoxy(methyl)amino]-2-oxoethyl]-2-phenyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-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(C)(C)C(=O)OC([C@H]1C(COC(O1)C2=CC=CC=C2)O)C(/C(=C\C(=O)N(C)OC)/OC)O

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(C)(C)C(=O)OC([C@H]1C(COC(O1)C2=CC=CC=C2)O)C(/C(=C\C(=O)N(C)OC)/OC)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):