Geometry & MOs

Info

ID:

112029

PubChem CID:

50392812

Reduced:

O5N6C39H54 (1)

Stoich.:

A5B6C39D54 (1)

Weight, g/mol:

674.379183

ΔHf, kcal/mol:

-228.32

Dipole, Da:

6.71

IP(EA), eV:

 -8.88(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCC(CC5)C)C

DOS

IR

Vibrations