Geometry & MOs

Info

ID:

111497

PubChem CID:

50370314

Reduced:

ClO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

597.271797

ΔHf, kcal/mol:

-183.69

Dipole, Da:

11.62

IP(EA), eV:

 -8.68(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-5-chlorophenyl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC(C)C)C(=O)NC4CCCCC4

DOS

IR

Vibrations