Geometry & MOs

Info

ID:	44346
PubChem CID:	10502962
Reduced:	N2O8C21H26 (1)
Stoich.:	A2B8C21D26 (1)
Weight, g/mol:	434.194068
ΔH_f, kcal/mol:	-314.7
Dipole, Da:	2.28
IP(EA), eV:	-9.81(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(4-methoxyphenoxy)ethanol

Drug info:

PubChemData

Smile

CCOC(=O)CC(=NCC(=O)OCC)C[C@H]1C(=O)OCN1C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations