Geometry & MOs

Info

ID:	130104
PubChem CID:	51074938
Reduced:	SO2N3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	314.09498
ΔH_f, kcal/mol:	-42.8
Dipole, Da:	3.31
IP(EA), eV:	-8.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

COCC(=O)N1CCN(CC1)C2=NC=CS2

DOS

IR

Vibrations