Geometry & MOs

Info

ID:

433330

PubChem CID:

135173467

Reduced:

N2O2C13H19 (2)

Stoich.:

A2B2C13D19 (2)

Weight, g/mol:

862.369013

ΔHf, kcal/mol:

-182.72

Dipole, Da:

1.57

IP(EA), eV:

 -9.67(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-formyl-3-[3-[3-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]phenoxy]propoxy]propoxy]-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCC(C)C(=O)NC(C(=O)N1CC(CC1C(=O)NC(C)C2=CC=C(C=C2)C#N)O)C(C)(C)C

DOS

IR

Vibrations