Geometry & MOs

Info

ID:	440728
PubChem CID:	135231139
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	402.055339
ΔH_f, kcal/mol:	-49.24
Dipole, Da:	5.31
IP(EA), eV:	-8.79(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-chloropyridin-3-yl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations