Geometry & MOs

Info

ID:

111398

PubChem CID:

50365074

Reduced:

O5N6C42H60 (1)

Stoich.:

A5B6C42D60 (1)

Weight, g/mol:

742.478169

ΔHf, kcal/mol:

-247.9

Dipole, Da:

7.23

IP(EA), eV:

 -8.69(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-methyl-6-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC=C4C(=O)NC5CCCCC5)C)C

DOS

IR

Vibrations