Geometry & MOs

Info

ID:	437310
PubChem CID:	135223117
Reduced:	SO3N4H24C26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	466.086639
ΔH_f, kcal/mol:	-17.31
Dipole, Da:	6.07
IP(EA), eV:	-8.48(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2-chlorophenyl)phenyl]sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CS(=O)(=O)NC3=CC=C(C=C3)NC(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations