Geometry & MOs

Info

ID:

114481

PubChem CID:

50484443

Reduced:

F2N6O6C43H48 (1)

Stoich.:

A2B6C6D43E48 (1)

Weight, g/mol:

573.275133

ΔHf, kcal/mol:

-284.14

Dipole, Da:

11.93

IP(EA), eV:

 -8.77(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)OC)C)F

DOS

IR

Vibrations