Geometry & MOs

Info

ID:	425232
PubChem CID:	135125589
Reduced:	ClON5H18C19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	445.058708
ΔH_f, kcal/mol:	55.9
Dipole, Da:	4.52
IP(EA), eV:	-8.98(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

CC1=C(N=NC2=C1C=C(C=C2)C(=O)NC3CN(C3)C4=NC=C(C=C4)Cl)C

DOS

IR

Vibrations