Geometry & MOs

Info

ID:	329192
PubChem CID:	126731819
Reduced:	ClSH3F4C7 (1)
Stoich.:	ABC3D4E7 (1)
Weight, g/mol:	566.202148
ΔH_f, kcal/mol:	-186.55
Dipole, Da:	2.4
IP(EA), eV:	-9.47(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6R,8aS)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-ethyl-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)SCl)F

DOS

IR

Vibrations