Geometry & MOs

Info

ID:

111872

PubChem CID:

50384889

Reduced:

ClN6O6C31H39 (1)

Stoich.:

AB6C6D31E39 (1)

Weight, g/mol:

668.308911

ΔHf, kcal/mol:

-241.03

Dipole, Da:

4.08

IP(EA), eV:

 -8.9(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(2-methylbutanoylamino)anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations