Geometry & MOs

Info

ID:	223451
PubChem CID:	85335064
Reduced:	PC11H18 (2)
Stoich.:	AB11C18 (2)
Weight, g/mol:	363.259586
ΔH_f, kcal/mol:	-68.26
Dipole, Da:	2.5
IP(EA), eV:	-8.35(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-(3-sulfanylpropylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)P1CCCC1C2=CC(=CC=C2)C3CCCP3C(C)(C)C

DOS

IR

Vibrations