Geometry & MOs

Info

ID:	64309
PubChem CID:	29199039
Reduced:	ClSO2N4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	464.172752
ΔH_f, kcal/mol:	-11.1
Dipole, Da:	4.2
IP(EA), eV:	-8.56(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-1-ethyl-2-methylbenzimidazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC(=CC=C2)Cl)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations