Geometry & MOs

Info

ID:

91475

PubChem CID:

49976163

Reduced:

N5O5C31H41 (1)

Stoich.:

A5B5C31D41 (1)

Weight, g/mol:

646.347883

ΔHf, kcal/mol:

-206.87

Dipole, Da:

3.81

IP(EA), eV:

 -8.68(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C)C

DOS

IR

Vibrations