Geometry & MOs

Info

ID:	404679
PubChem CID:	135069281
Reduced:	OC14H14 (1)
Stoich.:	AB14C14 (1)
Weight, g/mol:	260.97819
ΔH_f, kcal/mol:	75.53
Dipole, Da:	1.95
IP(EA), eV:	-9.12(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dichlorophenyl)-2-[dimethyl(oxo)-lambda6-sulfanylidene]acetonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C#CC1=CC=CC=C1OC#C

DOS

IR

Vibrations