Geometry & MOs

Info

ID:	425450
PubChem CID:	135126372
Reduced:	OF3N4H27C30 (1)
Stoich.:	AB3C4D27E30 (1)
Weight, g/mol:	417.133397
ΔH_f, kcal/mol:	-65.62
Dipole, Da:	10.55
IP(EA), eV:	-8.74(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-(oxan-4-yl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCCC3)C(F)(F)F)C#CC4=CC5=C(C=C4)N(C=N5)C

DOS

IR

Vibrations