Geometry & MOs

Info

ID:	13638
PubChem CID:	396365
Reduced:	O9C24H28 (1)
Stoich.:	A9B24C28 (1)
Weight, g/mol:	460.173332
ΔH_f, kcal/mol:	-301.06
Dipole, Da:	2.42
IP(EA), eV:	-9.42(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R,6S,10R,13S)-13-acetyloxy-4,15-dimethyl-12-[(2S)-2-methyloxiran-2-yl]-8-oxo-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-1(16),9(18),14-trien-10-yl] acetate

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

CC1=C2[C@H](C(C[C@H](C3=C[C@H](C[C@@]4([C@H](O4)C(=C1)O2)C)OC3=O)OC(=O)C)[C@]5(CO5)C)OC(=O)C

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

CC1=C2[C@H](C(C[C@H](C3=C[C@H](C[C@@]4([C@H](O4)C(=C1)O2)C)OC3=O)OC(=O)C)[C@]5(CO5)C)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):