Geometry & MOs

Info

ID:	65193
PubChem CID:	29204593
Reduced:	ClSN3O4C18H18 (1)
Stoich.:	ABC3D4E18F18 (1)
Weight, g/mol:	414.091725
ΔH_f, kcal/mol:	-111.98
Dipole, Da:	4.89
IP(EA), eV:	-8.97(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]benzohydrazide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations