Geometry & MOs

Info

ID:	9934
PubChem CID:	95044
Reduced:	Cl2S2N3H11C14 (1)
Stoich.:	A2B2C3D11E14 (1)
Weight, g/mol:	354.977145
ΔH_f, kcal/mol:	70.62
Dipole, Da:	3.93
IP(EA), eV:	-8.95(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloroanilino)-sulfanylmethylidene]-N'-(4-chlorophenyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=NC(=NC2=CC=C(C=C2)Cl)S)S)Cl

DOS

IR

Vibrations