Geometry & MOs

Info

ID:

111686

PubChem CID:

50377743

Reduced:

ClO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-178.21

Dipole, Da:

5.63

IP(EA), eV:

 -8.84(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-methyl-3-(2-methylpropanoylamino)anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCC(CC4)C)Cl

DOS

IR

Vibrations