Geometry & MOs

Info

ID:

110831

PubChem CID:

50341193

Reduced:

ClO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

682.384269

ΔHf, kcal/mol:

-197.89

Dipole, Da:

7.4

IP(EA), eV:

 -8.52(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[4-[(4-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations