Geometry & MOs

Info

ID:

383080

PubChem CID:

134974593

Reduced:

O3C29H42 (1)

Stoich.:

A3B29C42 (1)

Weight, g/mol:

501.272653

ΔHf, kcal/mol:

-112.6

Dipole, Da:

3.71

IP(EA), eV:

 -9.1(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3R,4R,14S)-17-acetyloxy-18-(acetyloxymethyl)-19-hydroxy-4,14-dimethyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC[C@@]1(CCC[C@H]1C(CCCOCC2=CC=CC=C2)C=O)C=O)/C)C

DOS

IR

Vibrations