Geometry & MOs

Info

ID:

105716

PubChem CID:

50139266

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-233.55

Dipole, Da:

5.56

IP(EA), eV:

 -8.67(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(cyclohexanecarbonylamino)-4-methylanilino]-2-oxoethyl]-1-[1-[2-methyl-4-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCCCC4)C)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations