Geometry & MOs

Info

ID:	425340
PubChem CID:	135125988
Reduced:	OF2N2C9H10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	428.111853
ΔH_f, kcal/mol:	-91.65
Dipole, Da:	3.91
IP(EA), eV:	-10.27(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6R)-2-amino-4-[5-[(Z)-2-(5-cyanopyridin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-4,6-dimethyl-5H-1,3-thiazine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C2=CN=C(C=N2)C(CO)(F)F

DOS

IR

Vibrations