Geometry & MOs

Info

ID:	392446
PubChem CID:	135016328
Reduced:	NOC20H21 (1)
Stoich.:	ABC20D21 (1)
Weight, g/mol:	430.30831
ΔH_f, kcal/mol:	0.85
Dipole, Da:	3.51
IP(EA), eV:	-8.75(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-4-[(3S,10R,13R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CCCCCC1=C(C2=CC=CC=C2N1)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations