Geometry & MOs

Info

ID:	246651
PubChem CID:	103064388
Reduced:	SO3N4C9H12 (1)
Stoich.:	AB3C4D9E12 (1)
Weight, g/mol:	254.072513
ΔH_f, kcal/mol:	-68.94
Dipole, Da:	2.57
IP(EA), eV:	-8.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(thiolan-3-ylcarbamoyl)pyrrol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=CN(N=N2)CC(=O)O

DOS

IR

Vibrations