Geometry & MOs

Info

ID:	152927
PubChem CID:	56312021
Reduced:	ClFO2N3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	429.172228
ΔH_f, kcal/mol:	-108.02
Dipole, Da:	1.57
IP(EA), eV:	-8.99(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(4-methylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations