Geometry & MOs

Info

ID:	134340
PubChem CID:	51683368
Reduced:	NC8H14 (2)
Stoich.:	AB8C14 (2)
Weight, g/mol:	497.155133
ΔH_f, kcal/mol:	-0.96
Dipole, Da:	0.76
IP(EA), eV:	-8.89(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C[NH2+][C@@H](C)C[NH+]2CCCCC2

DOS

IR

Vibrations