Geometry & MOs

Info

ID:	249682
PubChem CID:	103091352
Reduced:	NS2O5C12H17 (1)
Stoich.:	AB2C5D12E17 (1)
Weight, g/mol:	382.94968
ΔH_f, kcal/mol:	-190.84
Dipole, Da:	4.29
IP(EA), eV:	-9.9(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-[(3-methoxycyclopentyl)sulfamoyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1CCC(C1)NS(=O)(=O)C2=CC=C(S2)CC(=O)O

DOS

IR

Vibrations