Geometry & MOs

Info

ID:	373319
PubChem CID:	131313213
Reduced:	NSO3H7C8 (1)
Stoich.:	ABC3D7E8 (1)
Weight, g/mol:	197.014664
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	5.89
IP(EA), eV:	-9.66(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1CSC2=C(CC(=O)N=C21)C(=O)O

DOS

IR

Vibrations