Geometry & MOs

Info

ID:	217782
PubChem CID:	85088380
Reduced:	OSSiN2C22H30 (1)
Stoich.:	ABCD2E22F30 (1)
Weight, g/mol:	398.354866
ΔH_f, kcal/mol:	1.16
Dipole, Da:	4.45
IP(EA), eV:	-8.11(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2C[Si](CC2S(=O)C)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations