Geometry & MOs

Info

ID:	397513
PubChem CID:	135030320
Reduced:	OYS3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	372.194313
ΔH_f, kcal/mol:	59.7
Dipole, Da:	7.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.422334
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane

Drug info:

PubChemData

Smile

CCCC(CC)[C-]=O.C1=CC(=CC=[C-]1)C2=CC(=S)SS2.[Y]

DOS

IR

Vibrations