Geometry & MOs

Info

ID:	440707
PubChem CID:	135231056
Reduced:	ClSO3N5C18H18 (1)
Stoich.:	ABC3D5E18F18 (1)
Weight, g/mol:	453.042916
ΔH_f, kcal/mol:	-42.48
Dipole, Da:	3.91
IP(EA), eV:	-8.46(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3,4-dichlorophenyl)methylsulfonylamino]phenyl]-3-(1H-pyrazol-4-ylmethyl)urea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CS(=O)(=O)NC2=CC=C(C=C2)NC(=O)NCC3=CNN=C3)Cl

DOS

IR

Vibrations