Geometry & MOs

Info

ID:

93334

PubChem CID:

49993565

Reduced:

FO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

653.25767

ΔHf, kcal/mol:

-180.07

Dipole, Da:

2.69

IP(EA), eV:

 -8.79(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-bromo-4,5-dimethylanilino)-2-oxoethyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5)F

DOS

IR

Vibrations