Geometry & MOs

Info

ID:

93214

PubChem CID:

49992562

Reduced:

N5O5C35H49 (1)

Stoich.:

A5B5C35D49 (1)

Weight, g/mol:

645.38902

ΔHf, kcal/mol:

-226.59

Dipole, Da:

4.42

IP(EA), eV:

 -8.12(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C)OC

DOS

IR

Vibrations