Geometry & MOs

Info

ID:

107460

PubChem CID:

50203839

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-264.8

Dipole, Da:

5.78

IP(EA), eV:

 -9.06(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexanecarbonylamino)-3-methylphenyl]-1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)F)C

DOS

IR

Vibrations