Geometry & MOs

Info

ID:	401700
PubChem CID:	135052167
Reduced:	ClSO3N4H17C18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	379.040896
ΔH_f, kcal/mol:	-28.48
Dipole, Da:	8.57
IP(EA), eV:	-9.45(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-N'-(3-nitrophenyl)sulfonylcarbamimidoyl]-3-phenylthiourea

Drug info:

PubChemData

Smile

CCN1C(=C(N=N1)C(=O)C2=CC=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations