Geometry & MOs

Info

ID:	425376
PubChem CID:	135126104
Reduced:	ClSO2F3N4H16C18 (1)
Stoich.:	ABC2D3E4F16G18 (1)
Weight, g/mol:	407.067067
ΔH_f, kcal/mol:	-139.19
Dipole, Da:	5.67
IP(EA), eV:	-9.44(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aR)-7a-[5-[(Z)-2-(5-chloropyridin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine

Drug info:

PubChemData

Smile

CC1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C(=CC(=C2)C=C(C3=NC=C(C=C3)Cl)F)F)F

DOS

IR

Vibrations