Geometry & MOs

Info

ID:	325261
PubChem CID:	126682340
Reduced:	O2F3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	328.103477
ΔH_f, kcal/mol:	-209.65
Dipole, Da:	4.12
IP(EA), eV:	-9.93(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\[C@@H](C(C(=O)C)(F)F)O)/C1=CC=CC=C1F

DOS

IR

Vibrations