Geometry & MOs

Info

ID:

419124

PubChem CID:

135107543

Reduced:

N6O9C40H50 (1)

Stoich.:

A6B9C40D50 (1)

Weight, g/mol:

350.184172

ΔHf, kcal/mol:

-326.63

Dipole, Da:

9.68

IP(EA), eV:

 -8.81(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,4-dimethoxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)OC)O

DOS

IR

Vibrations