Geometry & MOs

Info

ID:	425425
PubChem CID:	135126292
Reduced:	ClSF2N4O4C19H19 (1)
Stoich.:	ABC2D4E4F19G19 (1)
Weight, g/mol:	507.080667
ΔH_f, kcal/mol:	-177.74
Dipole, Da:	3.96
IP(EA), eV:	-9.09(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations