Geometry & MOs

Info

ID:

93157

PubChem CID:

49992051

Reduced:

N5O5C38H47 (1)

Stoich.:

A5B5C38D47 (1)

Weight, g/mol:

605.35772

ΔHf, kcal/mol:

-186.3

Dipole, Da:

9.87

IP(EA), eV:

 -8.31(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-methoxy-3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)C)OC

DOS

IR

Vibrations