Geometry & MOs

Info

ID:	209843
PubChem CID:	80730445
Reduced:	S2N3O4C12H13 (1)
Stoich.:	A2B3C4D12E13 (1)
Weight, g/mol:	239.061614
ΔH_f, kcal/mol:	-42.9
Dipole, Da:	2.95
IP(EA), eV:	-9.41(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNS(=O)(=O)C2=CC(=C(S2)N)[N+](=O)[O-]

DOS

IR

Vibrations