Geometry & MOs

Info

ID:	171658
PubChem CID:	75410573
Reduced:	FO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	361.089641
ΔH_f, kcal/mol:	-31.81
Dipole, Da:	5.61
IP(EA), eV:	-9.18(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CN2C[C@@H]([C@@H](C2)F)OCC3=NC4=C(N3)C=CC=N4

DOS

IR

Vibrations