Geometry & MOs

Info

ID:

111085

PubChem CID:

50351524

Reduced:

N5O5C30H41 (1)

Stoich.:

A5B5C30D41 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-201.54

Dipole, Da:

2.7

IP(EA), eV:

 -8.51(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3OC)C

DOS

IR

Vibrations