Geometry & MOs

Info

ID:	435430
PubChem CID:	135191450
Reduced:	SO4C8H14 (1)
Stoich.:	AB4C8D14 (1)
Weight, g/mol:	475.183124
ΔH_f, kcal/mol:	-193.65
Dipole, Da:	4.89
IP(EA), eV:	-8.84(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzamidomethyl)-N-[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CCO[C@@H]([C@H]1O)CS

DOS

IR

Vibrations