Geometry & MOs

Info

ID:	61206
PubChem CID:	26707069
Reduced:	FN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	477.17337
ΔH_f, kcal/mol:	-142.55
Dipole, Da:	5.06
IP(EA), eV:	-8.61(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-ethyl-1-(4-fluorophenyl)sulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC(=C(C=C2)C)F

DOS

IR

Vibrations