Geometry & MOs

Info

ID:

47399

PubChem CID:

10532386

Reduced:

N4O5C40H44 (1)

Stoich.:

A4B5C40D44 (1)

Weight, g/mol:

661.357445

ΔHf, kcal/mol:

-125.69

Dipole, Da:

4.54

IP(EA), eV:

 -9.38(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-[(2,4-dimethoxyphenyl)methoxy]-N'-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-hydroxy-3-(2-methylpropyl)-N-[(2,4,6-trimethoxyphenyl)methyl]butanediamide

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@H](N(C(=O)N([C@@H]([C@@H]2O1)CC3=CC=CC=C3)CC4=CC(=CC=C4)C(=O)NC)CC5=CC(=CC=C5)C(=O)NC)CC6=CC=CC=C6)C

DOS

IR

Vibrations