Geometry & MOs

Info

ID:

107181

PubChem CID:

50193953

Reduced:

O5N6C38H52 (1)

Stoich.:

A5B6C38D52 (1)

Weight, g/mol:

708.340211

ΔHf, kcal/mol:

-233.49

Dipole, Da:

3.57

IP(EA), eV:

 -8.56(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)NC(=O)C5CCCCC5

DOS

IR

Vibrations