Geometry & MOs

Info

ID:

433442

PubChem CID:

135173579

Reduced:

N7O8C39H41 (1)

Stoich.:

A7B8C39D41 (1)

Weight, g/mol:

950.436047

ΔHf, kcal/mol:

-185.24

Dipole, Da:

12.68

IP(EA), eV:

 -8.87(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-4-hydroxy-1-[(2S)-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]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCCN4C=C(C(=N4)C5=CC=NC=C5)C6=CC7=C(C=C6)/C(=N/O)/CC7

DOS

IR

Vibrations