Geometry & MOs

Info

ID:	65172
PubChem CID:	29204566
Reduced:	ClSN4O4C22H27 (1)
Stoich.:	ABC4D4E22F27 (1)
Weight, g/mol:	388.049381
ΔH_f, kcal/mol:	-119.74
Dipole, Da:	5.74
IP(EA), eV:	-8.76(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N'-(4-chlorobenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations