Geometry & MOs

Info

ID:	153264
PubChem CID:	56312433
Reduced:	SO3N5C26H35 (1)
Stoich.:	AB3C5D26E35 (1)
Weight, g/mol:	417.186398
ΔH_f, kcal/mol:	-71.07
Dipole, Da:	8.0
IP(EA), eV:	-9.17(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations