Geometry & MOs

Info

ID:	425293
PubChem CID:	135125842
Reduced:	SO2N3F4H21C22 (1)
Stoich.:	AB2C3D4E21F22 (1)
Weight, g/mol:	423.122833
ΔH_f, kcal/mol:	-198.55
Dipole, Da:	6.8
IP(EA), eV:	-9.25(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoropyridin-2-yl)ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

CC1(C(=NC(C(S1)(F)F)(C)C2=C(C=CC(=C2)C=C(C3=NC=C4C(=C3)OCCO4)F)F)N)C

DOS

IR

Vibrations