Geometry & MOs

Info

ID:	152717
PubChem CID:	56311773
Reduced:	ClFO2N3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	421.203528
ΔH_f, kcal/mol:	-104.59
Dipole, Da:	3.48
IP(EA), eV:	-9.09(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations