Geometry & MOs

Info

ID:

111460

PubChem CID:

50368847

Reduced:

FN6O6C38H49 (1)

Stoich.:

AB6C6D38E49 (1)

Weight, g/mol:

612.246311

ΔHf, kcal/mol:

-289.75

Dipole, Da:

4.86

IP(EA), eV:

 -8.55(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-carbamoyl-3-chloroanilino)-3-oxopropyl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)F)C(=O)N6CCOCC6

DOS

IR

Vibrations