Geometry & MOs

Info

ID:	272347
PubChem CID:	103740083
Reduced:	NSO2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	177.061221
ΔH_f, kcal/mol:	-28.84
Dipole, Da:	5.85
IP(EA), eV:	-9.06(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-ylsulfanylbenzonitrile

Drug info:

PubChemData

Smile

COC(=O)CSC1=CC=CC(=C1)C#N

DOS

IR

Vibrations