Geometry & MOs

Info

ID:	27474
PubChem CID:	821511
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	176.01433
ΔH_f, kcal/mol:	-30.38
Dipole, Da:	3.64
IP(EA), eV:	-8.61(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-thiolane-2,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=O)N1N=CC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations