Geometry & MOs

Info

ID:

112799

PubChem CID:

50420756

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

669.276276

ΔHf, kcal/mol:

-228.76

Dipole, Da:

3.79

IP(EA), eV:

 -8.56(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(3-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)F)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations