Geometry & MOs

Info

ID:	390969
PubChem CID:	135001920
Reduced:	PO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	496.464417
ΔH_f, kcal/mol:	-51.48
Dipole, Da:	7.74
IP(EA), eV:	-9.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oct-1-en-3-ol

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)[C@H]2C[P@@](=O)(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations