Geometry & MOs

Info

ID:

91318

PubChem CID:

49975024

Reduced:

FN5O5C29H36 (1)

Stoich.:

AB5C5D29E36 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-223.66

Dipole, Da:

5.09

IP(EA), eV:

 -9.02(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations