Geometry & MOs

Info

ID:	250731
PubChem CID:	103098669
Reduced:	BrSN4C6H11 (1)
Stoich.:	ABC4D6E11 (1)
Weight, g/mol:	261.02252
ΔH_f, kcal/mol:	37.86
Dipole, Da:	2.29
IP(EA), eV:	-8.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N-propylacetamide

Drug info:

PubChemData

Smile

CCSCCN1C(=NC(=N1)N)Br

DOS

IR

Vibrations