Geometry & MOs

Info

ID:	407126
PubChem CID:	135079364
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	479.987884
ΔH_f, kcal/mol:	-60.2
Dipole, Da:	5.6
IP(EA), eV:	-8.66(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,5R)-4-[(2,6-dichlorophenyl)methoxy]-5-[(2,6-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=NC2=CC=C(C=C2)OC)C(=O)OC

DOS

IR

Vibrations