Geometry & MOs

Info

ID:

93245

PubChem CID:

49992723

Reduced:

O3N4C29H38 (1)

Stoich.:

A3B4C29D38 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-122.59

Dipole, Da:

7.49

IP(EA), eV:

 -8.86(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-(dimethylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations