Geometry & MOs

Info

ID:

110891

PubChem CID:

50343478

Reduced:

O4N5C29H37 (1)

Stoich.:

A4B5C29D37 (1)

Weight, g/mol:

668.23218

ΔHf, kcal/mol:

-157.9

Dipole, Da:

4.35

IP(EA), eV:

 -8.8(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCCCC4

DOS

IR

Vibrations