Geometry & MOs

Info

ID:	373641
PubChem CID:	131318164
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	-86.01
Dipole, Da:	2.08
IP(EA), eV:	-8.73(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(C=C1)C(=CS2)O)CBr

DOS

IR

Vibrations