Geometry & MOs

Info

ID:

111593

PubChem CID:

50373797

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-211.11

Dipole, Da:

7.68

IP(EA), eV:

 -8.64(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)NC(=O)C)C

DOS

IR

Vibrations