Geometry & MOs

Info

ID:	140802
PubChem CID:	52764164
Reduced:	SN2O3C24H24 (1)
Stoich.:	AB2C3D24E24 (1)
Weight, g/mol:	424.166604
ΔH_f, kcal/mol:	-54.07
Dipole, Da:	4.52
IP(EA), eV:	-8.78(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-methyl-N-[[3-(3-methylbutanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CNC(=O)[C@@H](C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations