Geometry & MOs

Info

ID:

111416

PubChem CID:

50365948

Reduced:

ClO5N6C42H59 (1)

Stoich.:

AB5C6D42E59 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-257.5

Dipole, Da:

10.63

IP(EA), eV:

 -8.86(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations