Geometry & MOs

Info

ID:

100136

PubChem CID:

50058657

Reduced:

FO5N6C42H51 (1)

Stoich.:

AB5C6D42E51 (1)

Weight, g/mol:

623.347155

ΔHf, kcal/mol:

-238.13

Dipole, Da:

15.34

IP(EA), eV:

 -8.54(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-6-[(2-methylcyclohexyl)carbamoyl]phenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC6CCCCC6

DOS

IR

Vibrations