Geometry & MOs

Info

ID:	171659
PubChem CID:	75410917
Reduced:	FSN3O3H16C17 (1)
Stoich.:	ABC3D3E16F17 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-81.93
Dipole, Da:	2.33
IP(EA), eV:	-9.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H](N2C(=NC3=C2C=CC(=C3)F)CO1)CNS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations