Geometry & MOs

Info

ID:	171525
PubChem CID:	75389350
Reduced:	ClNSO3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	258.022977
ΔH_f, kcal/mol:	-120.12
Dipole, Da:	3.83
IP(EA), eV:	-9.73(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(1-cyanoethyl)-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(S1)Cl)C(=O)NCC2(CCOC2)O

DOS

IR

Vibrations