Geometry & MOs

Info

ID:	171489
PubChem CID:	75383977
Reduced:	F3O3N5H10C12 (1)
Stoich.:	A3B3C5D10E12 (1)
Weight, g/mol:	336.976476
ΔH_f, kcal/mol:	-123.33
Dipole, Da:	4.68
IP(EA), eV:	-9.79(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2,5-dichlorothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CCN2C=NC(=N2)[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations