Geometry & MOs

Info

ID:	250710
PubChem CID:	103098501
Reduced:	BrSO2N4C5H9 (1)
Stoich.:	ABC2D4E5F9 (1)
Weight, g/mol:	337.86594
ΔH_f, kcal/mol:	-39.95
Dipole, Da:	6.1
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)CCN1C(=NC(=N1)N)Br

DOS

IR

Vibrations