Geometry & MOs

Info

ID:	219644
PubChem CID:	85164232
Reduced:	S2N3C32H41 (1)
Stoich.:	A2B3C32D41 (1)
Weight, g/mol:	532.391646
ΔH_f, kcal/mol:	83.21
Dipole, Da:	20.39
IP(EA), eV:	-7.63(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-15-oxo-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCN1C=CC(=C2C=CC(=C3C=CC(=C(C#N)C#N)S3)S2)C=C1

DOS

IR

Vibrations