Geometry & MOs

Info

ID:	440727
PubChem CID:	135231134
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	7.94
Dipole, Da:	2.65
IP(EA), eV:	-8.18(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

COC1=CC=CC=C1SC2=CC=C(C=C2)NC(=O)NCC3=CNN=C3

DOS

IR

Vibrations