Geometry & MOs

Info

ID:	175296
PubChem CID:	75880604
Reduced:	SN2O4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	424.166604
ΔH_f, kcal/mol:	-127.9
Dipole, Da:	4.78
IP(EA), eV:	-8.85(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-methyl-1-oxo-1-[(4-pyrazol-1-ylphenyl)methylamino]pentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)CCS(=O)(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations