Geometry & MOs

Info

ID:	198346
PubChem CID:	79090277
Reduced:	SN2O4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	314.039499
ΔH_f, kcal/mol:	-90.52
Dipole, Da:	6.37
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophen-2-yl]acetic acid

Drug info:

PubChemData

Smile

COC(=O)CC1=CC=C(C=C1)S(=O)(=O)NN2C=CC=C2

DOS

IR

Vibrations