Geometry & MOs

Info

ID:	222041
PubChem CID:	85293582
Reduced:	INSO4C19H26 (1)
Stoich.:	ABCD4E19F26 (1)
Weight, g/mol:	491.282429
ΔH_f, kcal/mol:	-149.02
Dipole, Da:	5.02
IP(EA), eV:	-9.34(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[13-methyl-3,17-bis(phenylmethoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3(C4C2CCCC4I)OCCCCO3

DOS

IR

Vibrations