Geometry & MOs

Info

ID:

17524

PubChem CID:

503093

Reduced:

N4O8C39H50 (1)

Stoich.:

A4B8C39D50 (1)

Weight, g/mol:

702.362865

ΔHf, kcal/mol:

-345.48

Dipole, Da:

5.78

IP(EA), eV:

 -8.48(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenoxy]-3-hydroxy-1-phenylbutan-2-yl]-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]butanediamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCC(O2)(C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC3=CC=CC=C3)[C@H](COC4=CC=CC=C4C(=O)NC(C)(C)C)O)C(=C1O)C)C

DOS

IR

Vibrations