Geometry & MOs

Info

ID:

111627

PubChem CID:

50375816

Reduced:

O4N5C37H53 (1)

Stoich.:

A4B5C37D53 (1)

Weight, g/mol:

603.378455

ΔHf, kcal/mol:

-198.46

Dipole, Da:

6.21

IP(EA), eV:

 -8.53(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(C)C)C(=O)NC4CCCCC4

DOS

IR

Vibrations