Geometry & MOs

Info

ID:	65208
PubChem CID:	29204611
Reduced:	ClSN3O4C15H20 (1)
Stoich.:	ABC3D4E15F20 (1)
Weight, g/mol:	460.130218
ΔH_f, kcal/mol:	-139.52
Dipole, Da:	5.2
IP(EA), eV:	-9.37(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N'-(4-chlorobenzoyl)-3-(3-methoxyphenyl)pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations