Geometry & MOs

Info

ID:	38558
PubChem CID:	8137067
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	409.167142
ΔH_f, kcal/mol:	-70.72
Dipole, Da:	6.81
IP(EA), eV:	-9.53(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=CC=[N+](C=C2)[O-]

DOS

IR

Vibrations