Geometry & MOs

Info

ID:	68578
PubChem CID:	46508687
Reduced:	SN2O2F3C22H27 (1)
Stoich.:	AB2C2D3E22F27 (1)
Weight, g/mol:	459.190654
ΔH_f, kcal/mol:	-265.94
Dipole, Da:	2.01
IP(EA), eV:	-9.08(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitrophenyl)-N-[3-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)NC4=CC=CC=C4SCC(F)(F)F

DOS

IR

Vibrations