Geometry & MOs

Info

ID:	52412
PubChem CID:	12015271
Reduced:	ClSN2O3H9C12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	253.067369
ΔH_f, kcal/mol:	-67.73
Dipole, Da:	5.88
IP(EA), eV:	-10.26(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-anilinophenyl)-1-cyanomethanethioamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations