Geometry & MOs

Info

ID:	440708
PubChem CID:	135231057
Reduced:	SCl2O3N5H17C18 (1)
Stoich.:	AB2C3D5E17F18 (1)
Weight, g/mol:	358.08481
ΔH_f, kcal/mol:	-50.27
Dipole, Da:	3.49
IP(EA), eV:	-8.65(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-pyrazol-4-ylmethyl)-3-(4-pyrimidin-2-ylsulfonylphenyl)urea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)NCC2=CNN=C2)NS(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations