Geometry & MOs

Info

ID:

406661

PubChem CID:

135078304

Reduced:

O7C39H50 (1)

Stoich.:

A7B39C50 (1)

Weight, g/mol:

537.366553

ΔHf, kcal/mol:

-248.22

Dipole, Da:

3.14

IP(EA), eV:

 -9.27(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S,3R,5R)-5-[(1R,3R)-1-hydroxy-3-(hydroxymethyl)-4-methylpentyl]-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-propan-2-ylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1C(C(C(OC1OCCC(C)(C)C=C)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations