Geometry & MOs

Info

ID:	65181
PubChem CID:	29204579
Reduced:	ClSN3O6C22H24 (1)
Stoich.:	ABC3D6E22F24 (1)
Weight, g/mol:	396.135304
ΔH_f, kcal/mol:	-192.38
Dipole, Da:	5.6
IP(EA), eV:	-9.52(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-chlorobenzoyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations