Geometry & MOs

Info

ID:

111078

PubChem CID:

50351291

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

605.394105

ΔHf, kcal/mol:

-223.84

Dipole, Da:

5.61

IP(EA), eV:

 -8.3(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-ethyl-6-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)NC(=O)C)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations