Geometry & MOs

Info

ID:	425302
PubChem CID:	135125870
Reduced:	ClIOF2N2H6C8 (1)
Stoich.:	ABCD2E2F6G8 (1)
Weight, g/mol:	463.148967
ΔH_f, kcal/mol:	-108.91
Dipole, Da:	3.88
IP(EA), eV:	-10.04(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)C(CI)(F)F)C(=O)N

DOS

IR

Vibrations