Geometry & MOs

Info

ID:	26335
PubChem CID:	644637
Reduced:	ClSN2O3C12H17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	322.06368
ΔH_f, kcal/mol:	-99.45
Dipole, Da:	5.19
IP(EA), eV:	-8.68(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-methyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)OC

DOS

IR

Vibrations