Geometry & MOs

Info

ID:	14104
PubChem CID:	404512
Reduced:	OSC6H6N6 (1)
Stoich.:	ABC6D6E6 (1)
Weight, g/mol:	210.03238
ΔH_f, kcal/mol:	69.04
Dipole, Da:	4.14
IP(EA), eV:	-9.84(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)C2=NC=NN2

DOS

IR

Vibrations