Geometry & MOs

Info

ID:	325258
PubChem CID:	126682326
Reduced:	SN2O2F4C20H20 (1)
Stoich.:	AB2C2D4E20F20 (1)
Weight, g/mol:	350.08897
ΔH_f, kcal/mol:	-245.5
Dipole, Da:	5.48
IP(EA), eV:	-8.85(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R,6S)-4-(2-fluoro-5-nitrophenyl)-5-methoxy-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazine

Drug info:

PubChemData

Smile

C[C@@H](C(C(F)(F)F)O)[C@@](C)(C1=CC=CC=C1F)NC(=S)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations