Geometry & MOs

Info

ID:

111845

PubChem CID:

50383673

Reduced:

O5N6C41H58 (1)

Stoich.:

A5B6C41D58 (1)

Weight, g/mol:

682.24783

ΔHf, kcal/mol:

-240.6

Dipole, Da:

3.52

IP(EA), eV:

 -8.79(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(methylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC(C5)C)C)C

DOS

IR

Vibrations