Geometry & MOs

Info

ID:	217596
PubChem CID:	85088080
Reduced:	SiO3C23H28 (1)
Stoich.:	AB3C23D28 (1)
Weight, g/mol:	380.253772
ΔH_f, kcal/mol:	-134.64
Dipole, Da:	4.13
IP(EA), eV:	-9.12(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethenyl-2,4b,8-trimethyl-8-(phenylsulfanylmethyl)-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CCC(=O)C(=CO)C3

DOS

IR

Vibrations