Geometry & MOs

Info

ID:

94529

PubChem CID:

50002136

Reduced:

N3O3C19H27 (2)

Stoich.:

A3B3C19D27 (2)

Weight, g/mol:

664.394833

ΔHf, kcal/mol:

-274.62

Dipole, Da:

9.52

IP(EA), eV:

 -8.82(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(butan-2-ylcarbamoyl)-2-methoxyanilino]-3-oxopropyl]-1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)OC

DOS

IR

Vibrations