Geometry & MOs

Info

ID:	153134
PubChem CID:	56312278
Reduced:	ClN3O4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	465.153384
ΔH_f, kcal/mol:	-135.57
Dipole, Da:	2.33
IP(EA), eV:	-8.24(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(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=CC(=C(C=C3OC)Cl)OC

DOS

IR

Vibrations