Geometry & MOs

Info

ID:	260557
PubChem CID:	103195019
Reduced:	S2N3O5C11H15 (1)
Stoich.:	A2B3C5D11E15 (1)
Weight, g/mol:	313.073242
ΔH_f, kcal/mol:	-164.19
Dipole, Da:	8.95
IP(EA), eV:	-9.35(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)S(=O)(=O)C2=C(N=CS2)C(=O)O

DOS

IR

Vibrations