Geometry & MOs

Info

ID:

433403

PubChem CID:

135173540

Reduced:

N7O7C38H41 (1)

Stoich.:

A7B7C38D41 (1)

Weight, g/mol:

802.311498

ΔHf, kcal/mol:

-135.06

Dipole, Da:

5.8

IP(EA), eV:

 -8.8(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-formyl-2-[5-[3-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenoxy]butoxy]phenyl]-1,3-dioxoisoindol-2-yl]pentanamide

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NCCOCCOCCOCCN4C=C(C(=N4)C5=CC=NC=C5)C6=CC7=C(C=C6)/C(=N/O)/CC7

DOS

IR

Vibrations