Geometry & MOs

Info

ID:	325253
PubChem CID:	126682304
Reduced:	SF2N2O2C13H14 (1)
Stoich.:	AB2C2D2E13F14 (1)
Weight, g/mol:	349.99
ΔH_f, kcal/mol:	-78.27
Dipole, Da:	4.73
IP(EA), eV:	-9.51(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R,6R)-4-(6-bromo-3-fluoropyridin-2-yl)-5-fluoro-2,4-dimethyl-5,6-dihydro-1,3-thiazin-6-yl]methanol

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]([C@@](N=C(S1)C)(C)C2=C(C=CC(=C2)[N+](=O)[O-])F)F

DOS

IR

Vibrations