Geometry & MOs

Info

ID:

433304

PubChem CID:

135173441

Reduced:

SN5O5C33H37 (1)

Stoich.:

AB5C5D33E37 (1)

Weight, g/mol:

986.345518

ΔHf, kcal/mol:

-100.53

Dipole, Da:

12.27

IP(EA), eV:

 -8.73(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,4S)-3,4-dihydroxy-N-[[4-[4-[(2R)-3-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)-3-oxopropyl]-1,3-thiazol-5-yl]phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=CC(=CC=C1)N(C)C(=O)N(C)C2=CC=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)OC

DOS

IR

Vibrations