Geometry & MOs

Info

ID:

112793

PubChem CID:

50420432

Reduced:

O5N6C40H58 (1)

Stoich.:

A5B6C40D58 (1)

Weight, g/mol:

702.446869

ΔHf, kcal/mol:

-240.75

Dipole, Da:

3.64

IP(EA), eV:

 -9.04(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(cyclohexylcarbamoyl)-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC=C3C(=O)N4CCC(CC4)C)C)C

DOS

IR

Vibrations