Geometry & MOs

Info

ID:	425403
PubChem CID:	135126200
Reduced:	SF2O3N5H19C22 (1)
Stoich.:	AB2C3D5E19F22 (1)
Weight, g/mol:	466.01622
ΔH_f, kcal/mol:	-65.08
Dipole, Da:	5.45
IP(EA), eV:	-9.26(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCOC1=NC=C(N=C1)/C(=C/C2=CC(=C(C=C2)F)C34CN(CC3CSC(=N4)N)C(=O)O)/F

DOS

IR

Vibrations