Geometry & MOs

Info

ID:	152735
PubChem CID:	56311794
Reduced:	ClON2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	433.163555
ΔH_f, kcal/mol:	-15.31
Dipole, Da:	2.51
IP(EA), eV:	-8.87(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations