Geometry & MOs

Info

ID:	298531
PubChem CID:	117650623
Reduced:	O2C18H19 (2)
Stoich.:	A2B18C19 (2)
Weight, g/mol:	291.131802
ΔH_f, kcal/mol:	-43.49
Dipole, Da:	2.69
IP(EA), eV:	-9.06(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-5-acetamido-6-[(2S)-2,3-dihydroxypropyl]-4-hydroxy-2-methyloxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(C=CC(C=C2)(C3=CC=C(C=C3)C4(C=CC(C=C4)(C5=CC=C(C=C5)C)OC)OC)OC)OC

DOS

IR

Vibrations