Geometry & MOs

Info

ID:

111501

PubChem CID:

50370375

Reduced:

ClN5O5C33H42 (1)

Stoich.:

AB5C5D33E42 (1)

Weight, g/mol:

649.339483

ΔHf, kcal/mol:

-202.33

Dipole, Da:

1.59

IP(EA), eV:

 -9.04(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(4-methylpiperidine-1-carbonyl)phenyl]-1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4CCCCC4)C(=O)N5CCOCC5

DOS

IR

Vibrations