Geometry & MOs

Info

ID:

92593

PubChem CID:

49988397

Reduced:

N3O3C20H25 (2)

Stoich.:

A3B3C20D25 (2)

Weight, g/mol:

603.378455

ΔHf, kcal/mol:

-230.31

Dipole, Da:

5.96

IP(EA), eV:

 -8.21(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-(3-methylanilino)-1-oxobutan-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=C5)OC

DOS

IR

Vibrations