Geometry & MOs

Info

ID:	152715
PubChem CID:	56311770
Reduced:	FSO2N5C24H26 (1)
Stoich.:	ABC2D5E24F26 (1)
Weight, g/mol:	417.161933
ΔH_f, kcal/mol:	-41.21
Dipole, Da:	4.61
IP(EA), eV:	-9.31(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NN=C(S3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations