Geometry & MOs

Info

ID:	425405
PubChem CID:	135126206
Reduced:	O3C11H11 (2)
Stoich.:	A3B11C11 (2)
Weight, g/mol:	464.02055
ΔH_f, kcal/mol:	-157.08
Dipole, Da:	1.73
IP(EA), eV:	-9.22(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4aS,5S,7aS)-7a-(5-bromo-2-fluorophenyl)-5-(hydroxymethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2CO2)C)C3=CC(=O)C4=C(O3)C=C(C=C4OC)OC

DOS

IR

Vibrations