Geometry & MOs

Info

ID:	18173
PubChem CID:	538729
Reduced:	O10C17H20 (1)
Stoich.:	A10B17C20 (1)
Weight, g/mol:	384.105647
ΔH_f, kcal/mol:	-394.42
Dipole, Da:	8.69
IP(EA), eV:	-8.6(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-diacetyloxy-4-[(3,4-dimethoxyphenyl)methoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(=O)OC(C(C(=O)OCC1=CC(=C(C=C1)OC)OC)OC(=O)C)C(=O)O

DOS

IR

Vibrations