Geometry & MOs

Info

ID:	209022
PubChem CID:	80614852
Reduced:	BrS2N4H7C8 (1)
Stoich.:	AB2C4D7E8 (1)
Weight, g/mol:	241.009202
ΔH_f, kcal/mol:	84.73
Dipole, Da:	6.82
IP(EA), eV:	-8.58(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)SCC2=NN=C(S2)N

DOS

IR

Vibrations