Geometry & MOs

Info

ID:

114301

PubChem CID:

50477839

Reduced:

F3N5O5H34C36 (1)

Stoich.:

A3B5C5D34E36 (1)

Weight, g/mol:

681.312661

ΔHf, kcal/mol:

-257.48

Dipole, Da:

8.24

IP(EA), eV:

 -8.93(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=C(C=C4)OC)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations