Geometry & MOs

Info

ID:

326787

PubChem CID:

126688200

Reduced:

FO2N8C21H25 (1)

Stoich.:

AB2C8D21E25 (1)

Weight, g/mol:

480.208279

ΔHf, kcal/mol:

-46.68

Dipole, Da:

2.7

IP(EA), eV:

 -8.9(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(13S,15S)-16-(hydroxymethylidene)-3-methoxy-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

C1CCN(C1)C(=O)N[C@@H]2CCC[C@@H](C2)NC3=NC(=NC=C3F)C4=CN5C(=NNC5=O)C=C4

DOS

IR

Vibrations