Geometry & MOs

Info

ID:

91325

PubChem CID:

49975110

Reduced:

ClN6O7C33H41 (1)

Stoich.:

AB6C7D33E41 (1)

Weight, g/mol:

612.246311

ΔHf, kcal/mol:

-265.86

Dipole, Da:

5.4

IP(EA), eV:

 -9.17(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-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)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations