Geometry & MOs

Info

ID:	151925
PubChem CID:	56310757
Reduced:	SN4O4C26H34 (1)
Stoich.:	AB4C4D26E34 (1)
Weight, g/mol:	445.217698
ΔH_f, kcal/mol:	-122.09
Dipole, Da:	5.01
IP(EA), eV:	-9.01(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

DOS

IR

Vibrations