Geometry & MOs

Info

ID:

326795

PubChem CID:

126688212

Reduced:

FO3N6C17H17 (1)

Stoich.:

AB3C6D17E17 (1)

Weight, g/mol:

466.192629

ΔHf, kcal/mol:

-82.08

Dipole, Da:

9.05

IP(EA), eV:

 -8.77(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(13S,15S,16E)-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

C1C[C@H](C[C@H](C1)NC2=NC(=NC=C2F)C3=CN4C(=NNC4=O)C=C3)C(=O)O

DOS

IR

Vibrations