Geometry & MOs

Info

ID:

113978

PubChem CID:

50466892

Reduced:

N3O3C21H23 (2)

Stoich.:

A3B3C21D23 (2)

Weight, g/mol:

619.280612

ΔHf, kcal/mol:

-180.51

Dipole, Da:

3.63

IP(EA), eV:

 -8.51(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)NC(=O)C6=CC=CC=C6OC)C

DOS

IR

Vibrations