Geometry & MOs

Info

ID:	151921
PubChem CID:	56310747
Reduced:	ON2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	433.163555
ΔH_f, kcal/mol:	-39.28
Dipole, Da:	3.9
IP(EA), eV:	-8.98(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C)C

DOS

IR

Vibrations