Geometry & MOs

Info

ID:

433446

PubChem CID:

135173583

Reduced:

SN4O6C34H42 (1)

Stoich.:

AB4C6D34E42 (1)

Weight, g/mol:

1098.488476

ΔHf, kcal/mol:

-201.96

Dipole, Da:

5.53

IP(EA), eV:

 -9.24(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-4-hydroxy-N-[[2-[2-[2-[2-[2-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-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

CCCOCCOC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O

DOS

IR

Vibrations