Geometry & MOs

Info

ID:

108821

PubChem CID:

50260519

Reduced:

N5O5C33H39 (1)

Stoich.:

A5B5C33D39 (1)

Weight, g/mol:

599.310769

ΔHf, kcal/mol:

-164.45

Dipole, Da:

10.39

IP(EA), eV:

 -8.52(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations