Geometry & MOs

Info

ID:

434499

PubChem CID:

135175058

Reduced:

ClFO6N7C37H49 (1)

Stoich.:

ABC6D7E37F49 (1)

Weight, g/mol:

517.268905

ΔHf, kcal/mol:

-249.29

Dipole, Da:

8.2

IP(EA), eV:

 -8.52(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-4-hydroxy-1-[(2S)-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylbutanoyl]-N-[[4-(3-methylimidazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN1C(=O)C(C(C)(C)C)NC(=O)COCCOCCN(C)C/C=C/C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)Cl)F)OC

DOS

IR

Vibrations