Geometry & MOs

Info

ID:	64899
PubChem CID:	29204167
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	444.183127
ΔH_f, kcal/mol:	-7.2
Dipole, Da:	7.33
IP(EA), eV:	-9.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC=CC=N2

DOS

IR

Vibrations