Geometry & MOs

Info

ID:	425062
PubChem CID:	135125010
Reduced:	OF2N2H8C10 (2)
Stoich.:	AB2C2D8E10 (2)
Weight, g/mol:	416.111853
ΔH_f, kcal/mol:	-118.48
Dipole, Da:	3.46
IP(EA), eV:	-9.29(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]benzonitrile

Drug info:

PubChemData

Smile

CC1(C(COC(=N1)N)(F)F)C2=C(C=CC(=C2)C=C(C3=CN=C(C=N3)OCC#C)F)F

DOS

IR

Vibrations