Geometry & MOs

Info

ID:	245308
PubChem CID:	99443275
Reduced:	ClON5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	455.096263
ΔH_f, kcal/mol:	53.86
Dipole, Da:	4.91
IP(EA), eV:	-8.66(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenoxy)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N=C1NC(=O)C3=C(N(N=C3)C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations