Geometry & MOs

Info

ID:

91531

PubChem CID:

49976675

Reduced:

N6O6C35H46 (1)

Stoich.:

A6B6C35D46 (1)

Weight, g/mol:

660.363533

ΔHf, kcal/mol:

-239.06

Dipole, Da:

5.51

IP(EA), eV:

 -9.03(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCC2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations