Geometry & MOs

Info

ID:

433795

PubChem CID:

135173937

Reduced:

N7O10C44H53 (1)

Stoich.:

A7B10C44D53 (1)

Weight, g/mol:

906.409832

ΔHf, kcal/mol:

-291.15

Dipole, Da:

3.72

IP(EA), eV:

 -8.88(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1CNO)C=CC(=C2)C3=CN(N=C3C4=CC=NC=C4)CCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O

DOS

IR

Vibrations