Geometry & MOs

Info

ID:	326784
PubChem CID:	126688196
Reduced:	PSO2C13H29 (1)
Stoich.:	ABC2D13E29 (1)
Weight, g/mol:	493.239913
ΔH_f, kcal/mol:	-216.38
Dipole, Da:	5.03
IP(EA), eV:	-9.32(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(13S,15R,17Z)-3-hydroxy-13-methyl-17-prop-2-enoxyimino-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOP(=S)(C)O

DOS

IR

Vibrations