Geometry & MOs

Info

ID:	153034
PubChem CID:	56312150
Reduced:	BrClO2N3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	465.153384
ΔH_f, kcal/mol:	-55.63
Dipole, Da:	1.76
IP(EA), eV:	-9.12(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations