Geometry & MOs

Info

ID:	61315
PubChem CID:	26708126
Reduced:	FCl2O2N3H16C20 (1)
Stoich.:	AB2C2D3E16F20 (1)
Weight, g/mol:	465.068068
ΔH_f, kcal/mol:	-51.29
Dipole, Da:	9.53
IP(EA), eV:	-9.53(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyanophenyl)sulfonyl-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N[C@@H](C)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations