Geometry & MOs

Info

ID:	284970
PubChem CID:	104086357
Reduced:	ClNOSC10H14 (1)
Stoich.:	ABCDE10F14 (1)
Weight, g/mol:	211.022248
ΔH_f, kcal/mol:	-36.24
Dipole, Da:	4.95
IP(EA), eV:	-8.46(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-chloropropan-2-ylsulfanyl)benzonitrile

Drug info:

PubChemData

Smile

CCOC1=C(N=CC=C1)SC(C)CCl

DOS

IR

Vibrations