Geometry & MOs

Info

ID:	409897
PubChem CID:	135082684
Reduced:	SN2O4H10C14 (1)
Stoich.:	AB2C4D10E14 (1)
Weight, g/mol:	316.051778
ΔH_f, kcal/mol:	-81.93
Dipole, Da:	4.51
IP(EA), eV:	-9.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-3-(oxomethylidene)-1-phenylurea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C(=O)N=C=O)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations