Geometry & MOs

Info

ID:

326796

PubChem CID:

126688213

Reduced:

SN2O4C26H30 (1)

Stoich.:

AB2C4D26E30 (1)

Weight, g/mol:

466.192629

ΔHf, kcal/mol:

-143.49

Dipole, Da:

2.93

IP(EA), eV:

 -8.89(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(13S,15S)-3-hydroxy-16-(hydroxymethylidene)-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)CC[C@H]\2C3C4CCC5=C(C4CC[C@@]3(C(=O)/C2=C/O)C)C=CC(=C5)O

DOS

IR

Vibrations