Geometry & MOs

Info

ID:	425388
PubChem CID:	135126165
Reduced:	FINH5C9 (1)
Stoich.:	ABCD5E9 (1)
Weight, g/mol:	556.120367
ΔH_f, kcal/mol:	39.08
Dipole, Da:	2.6
IP(EA), eV:	-9.89(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,5S,7aS)-7a-[2-fluoro-5-[(Z)-2-fluoro-2-(5-prop-2-ynoxypyrazin-2-yl)ethenyl]phenyl]-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine;acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C(=CI)F

DOS

IR

Vibrations