Geometry & MOs

Info

ID:	424489
PubChem CID:	135122873
Reduced:	ON3H17C23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	420.982349
ΔH_f, kcal/mol:	93.61
Dipole, Da:	4.08
IP(EA), eV:	-8.19(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-chloro-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-3-(trifluoromethyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC=CC2C3=CNC(=O)C(=C3)C4=CC=CC=C4C#N

DOS

IR

Vibrations