Geometry & MOs

Info

ID:

98743

PubChem CID:

50046110

Reduced:

F2N5O5C32H35 (1)

Stoich.:

A2B5C5D32E35 (1)

Weight, g/mol:

669.17622

ΔHf, kcal/mol:

-246.32

Dipole, Da:

4.55

IP(EA), eV:

 -8.47(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-bromo-4,5-dimethylanilino)-2-oxoethyl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations