Geometry & MOs

Info

ID:

106412

PubChem CID:

50162475

Reduced:

O5N6C38H52 (1)

Stoich.:

A5B6C38D52 (1)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-225.93

Dipole, Da:

8.75

IP(EA), eV:

 -8.84(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N5CCCCC5)C)C

DOS

IR

Vibrations