Geometry & MOs

Info

ID:	325252
PubChem CID:	126682296
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	300.074405
ΔH_f, kcal/mol:	37.79
Dipole, Da:	4.89
IP(EA), eV:	-8.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R,6R)-5-fluoro-4-(2-fluoro-5-nitrophenyl)-2,4,6-trimethyl-5,6-dihydro-1,3-thiazine

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H](C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)OCC4=CC=CC=C4)C

DOS

IR

Vibrations