Geometry & MOs

Info

ID:

92600

PubChem CID:

49988443

Reduced:

O5N6C41H52 (1)

Stoich.:

A5B6C41D52 (1)

Weight, g/mol:

681.28897

ΔHf, kcal/mol:

-207.83

Dipole, Da:

5.84

IP(EA), eV:

 -8.6(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)C

DOS

IR

Vibrations