Geometry & MOs

Info

ID:	388117
PubChem CID:	134988205
Reduced:	ClNSC6H6 (1)
Stoich.:	ABCD6E6 (1)
Weight, g/mol:	229.032813
ΔH_f, kcal/mol:	58.51
Dipole, Da:	4.76
IP(EA), eV:	-8.96(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-phenylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC=C=C(CCl)N=C=S

DOS

IR

Vibrations