Geometry & MOs

Info

ID:	68504
PubChem CID:	46508541
Reduced:	ClN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	413.102097
ΔH_f, kcal/mol:	-80.12
Dipole, Da:	1.8
IP(EA), eV:	-8.47(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,3,4-trifluoroanilino)ethanone

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C3=CC=C(C=C3)O

DOS

IR

Vibrations