Geometry & MOs

Info

ID:	89353
PubChem CID:	49960642
Reduced:	SCl2N3O3C13H15 (1)
Stoich.:	AB2C3D3E13F15 (1)
Weight, g/mol:	429.09139
ΔH_f, kcal/mol:	-92.08
Dipole, Da:	4.24
IP(EA), eV:	-9.1(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]urea

Drug info:

PubChemData

Smile

CC(=O)NC(=S)NNC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations