Geometry & MOs

Info

ID:

93029

PubChem CID:

49991052

Reduced:

FO4N5C38H46 (1)

Stoich.:

AB4C5D38E46 (1)

Weight, g/mol:

567.261232

ΔHf, kcal/mol:

-196.58

Dipole, Da:

4.11

IP(EA), eV:

 -8.7(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-carbamoyl-3-chlorophenyl)-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)C)C)F

DOS

IR

Vibrations