Geometry & MOs

Info

ID:

107492

PubChem CID:

50205625

Reduced:

O5N6C43H56 (1)

Stoich.:

A5B6C43D56 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-216.26

Dipole, Da:

10.48

IP(EA), eV:

 -8.73(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC(=C5)C)C

DOS

IR

Vibrations