Geometry & MOs

Info

ID:	155707
PubChem CID:	56367072
Reduced:	F3N4O5H17C18 (1)
Stoich.:	A3B4C5D17E18 (1)
Weight, g/mol:	492.16787
ΔH_f, kcal/mol:	-232.23
Dipole, Da:	5.62
IP(EA), eV:	-10.05(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxy-5-morpholin-4-ylsulfonyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OCC(F)(F)F)C(=O)NCCC(=O)NCC2=CC=NC=C2)[N+](=O)[O-]

DOS

IR

Vibrations