Geometry & MOs

Info

ID:	158382
PubChem CID:	56463545
Reduced:	SN4O6H16C18 (1)
Stoich.:	AB4C6D16E18 (1)
Weight, g/mol:	401.034938
ΔH_f, kcal/mol:	-161.68
Dipole, Da:	12.83
IP(EA), eV:	-9.04(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-chloro-2-cyanophenyl)sulfonylamino]phenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)NC2=CC=C(C=C2)N3C=CC(=N3)C(=O)N)C(=O)O)O

DOS

IR

Vibrations