Geometry & MOs

Info

ID:

91661

PubChem CID:

49978066

Reduced:

Cl2N5O5C29H35 (1)

Stoich.:

A2B5C5D29E35 (1)

Weight, g/mol:

592.300933

ΔHf, kcal/mol:

-200.69

Dipole, Da:

8.38

IP(EA), eV:

 -8.96(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations