Geometry & MOs

Info

ID:	261680
PubChem CID:	103245065
Reduced:	NSO4C8H13 (1)
Stoich.:	ABC4D8E13 (1)
Weight, g/mol:	303.0599
ΔH_f, kcal/mol:	-173.63
Dipole, Da:	7.27
IP(EA), eV:	-9.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)N/C=C/C(=O)O

DOS

IR

Vibrations