Geometry & MOs

Info

ID:	425311
PubChem CID:	135125901
Reduced:	FO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	445.138402
ΔH_f, kcal/mol:	-253.15
Dipole, Da:	2.8
IP(EA), eV:	-10.25(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(Z)-2-[3-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(COC(OC1)C2=CC(=C(C(=C2)F)F)C(=O)OC)C

DOS

IR

Vibrations