Geometry & MOs

Info

ID:

110685

PubChem CID:

50336055

Reduced:

ClO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-197.3

Dipole, Da:

6.31

IP(EA), eV:

 -8.33(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-acetamido-3-methylanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C)NC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations