Geometry & MOs

Info

ID:	198777
PubChem CID:	79149290
Reduced:	NCl2S2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	269.038961
ΔH_f, kcal/mol:	45.35
Dipole, Da:	3.11
IP(EA), eV:	-8.18(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(S2)CSC3=CC(=C(C=C3)N)Cl)Cl

DOS

IR

Vibrations