Geometry & MOs

Info

ID:	179523
PubChem CID:	76493719
Reduced:	NO4C14H16 (2)
Stoich.:	AB4C14D16 (2)
Weight, g/mol:	220.058303
ΔH_f, kcal/mol:	-281.89
Dipole, Da:	7.85
IP(EA), eV:	-8.97(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CC2=CC=CC=C2N1C(=O)CCC(C(=O)O)NC3(COC3=O)OCC4=CC=CC=C4

DOS

IR

Vibrations