Geometry & MOs

Info

ID:

112844

PubChem CID:

50422296

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

589.22226

ΔHf, kcal/mol:

-159.0

Dipole, Da:

4.23

IP(EA), eV:

 -8.56(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,5-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC=C3)C(=O)NC

DOS

IR

Vibrations