Geometry & MOs

Info

ID:	390159
PubChem CID:	134997439
Reduced:	OSSiN3C14H20 (1)
Stoich.:	ABCD3E14F20 (1)
Weight, g/mol:	250.139137
ΔH_f, kcal/mol:	13.07
Dipole, Da:	4.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.042867
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1,3,3-trimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C(=N/C(=C/[N+]#N)/O)/SC[Si](C)(C)C

DOS

IR

Vibrations