Geometry & MOs

Info

ID:	172932
PubChem CID:	75574380
Reduced:	IO2N4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	405.066238
ΔH_f, kcal/mol:	24.81
Dipole, Da:	9.22
IP(EA), eV:	-9.4(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]hydrazinyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C(=NNC2=CC=CC=C2I)C1=O)C)C#N

DOS

IR

Vibrations