Geometry & MOs

Info

ID:

111886

PubChem CID:

50385267

Reduced:

N3O3C17H23 (2)

Stoich.:

A3B3C17D23 (2)

Weight, g/mol:

674.379183

ΔHf, kcal/mol:

-244.09

Dipole, Da:

5.16

IP(EA), eV:

 -9.08(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)C(=O)NC(C)C)C(=O)N4CCOCC4

DOS

IR

Vibrations