Geometry & MOs

Info

ID:	176097
PubChem CID:	75995704
Reduced:	SO2N7C20H23 (1)
Stoich.:	AB2C7D20E23 (1)
Weight, g/mol:	191.019178
ΔH_f, kcal/mol:	42.88
Dipole, Da:	2.82
IP(EA), eV:	-8.56(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2,3-dihydroxy-5-oxohexanedioate;hydron

Drug info:

PubChemData

Smile

CCC1C(=O)N(C2=CN=C(N=C2N1C3CCOC3)C4=CN(N=C4C5=NC=CS5)C)C

DOS

IR

Vibrations