Geometry & MOs

Info

ID:	206440
PubChem CID:	80250255
Reduced:	S2N3O4C11H13 (1)
Stoich.:	A2B3C4D11E13 (1)
Weight, g/mol:	314.039499
ΔH_f, kcal/mol:	-95.28
Dipole, Da:	2.28
IP(EA), eV:	-9.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-ethylthiophen-2-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNS(=O)(=O)C2=CN(N=C2)CC(=O)O

DOS

IR

Vibrations