Geometry & MOs

Info

ID:

125059

PubChem CID:

50908336

Reduced:

NSO6C33H39 (1)

Stoich.:

ABC6D33E39 (1)

Weight, g/mol:

469.246438

ΔHf, kcal/mol:

-204.38

Dipole, Da:

3.27

IP(EA), eV:

 -8.26(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,3R)-2-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)CCN2[C@@H]([C@](CC2=O)(C(=O)OC)SC3=CC=CC=C3)C4=CC(=C(C=C4)OC(C)C)OC

DOS

IR

Vibrations