Geometry & MOs

Info

ID:

110642

PubChem CID:

50333602

Reduced:

N3O3C18H22 (2)

Stoich.:

A3B3C18D22 (2)

Weight, g/mol:

565.32642

ΔHf, kcal/mol:

-213.34

Dipole, Da:

4.78

IP(EA), eV:

 -8.12(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-ethoxyanilino)-3-oxopropyl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=CC(=C4)C)C

DOS

IR

Vibrations