Geometry & MOs

Info

ID:	382627
PubChem CID:	134973899
Reduced:	NO7C22H29 (1)
Stoich.:	AB7C22D29 (1)
Weight, g/mol:	548.241018
ΔH_f, kcal/mol:	-263.39
Dipole, Da:	7.69
IP(EA), eV:	-9.24(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4R,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-2-methoxy-3-oxo-2-[(4-phenylmethoxyphenyl)methyl]propanoate

Drug info:

PubChemData

Smile

CC/C=C/C12C3CCN1C4CC2OC35C4C([C@@](O5)(C6(C(=C(C(=O)O6)C)OC)O)O)C

DOS

IR

Vibrations