Geometry & MOs

Info

ID:	64168
PubChem CID:	29197323
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	438.04582
ΔH_f, kcal/mol:	-61.79
Dipole, Da:	6.41
IP(EA), eV:	-8.53(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N'-[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]benzohydrazide

Drug info:

PubChemData

Smile

CN(C)[C@H](CNS(=O)(=O)CCC1=CC=C(C=C1)OC)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations