Geometry & MOs

Info

ID:	401673
PubChem CID:	135052091
Reduced:	SO2N7H17C20 (1)
Stoich.:	AB2C7D17E20 (1)
Weight, g/mol:	348.071468
ΔH_f, kcal/mol:	147.35
Dipole, Da:	5.11
IP(EA), eV:	-9.13(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-N'-(4-methylphenyl)sulfonylcarbamimidoyl]-3-phenylthiourea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)/C(=N/NS(=O)(=O)C3=CC=CC=C3)/CN=[N+]=[N-]

DOS

IR

Vibrations