Geometry & MOs

Info

ID:	338938
PubChem CID:	127259949
Reduced:	SN3O3C8H11 (1)
Stoich.:	AB3C3D8E11 (1)
Weight, g/mol:	319.044919
ΔH_f, kcal/mol:	-45.89
Dipole, Da:	5.23
IP(EA), eV:	-10.09(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C/NNO

DOS

IR

Vibrations