Geometry & MOs

Info

ID:

108375

PubChem CID:

50242935

Reduced:

F3O3N4C29H29 (1)

Stoich.:

A3B3C4D29E29 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-207.59

Dipole, Da:

5.22

IP(EA), eV:

 -8.94(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations