Geometry & MOs

Info

ID:

96902

PubChem CID:

50025690

Reduced:

F3O3N4C29H29 (1)

Stoich.:

A3B3C4D29E29 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-206.06

Dipole, Da:

9.62

IP(EA), eV:

 -9.06(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations