Geometry & MOs

Info

ID:

114485

PubChem CID:

50484619

Reduced:

F2O5N6H36C37 (1)

Stoich.:

A2B5C6D36E37 (1)

Weight, g/mol:

694.291511

ΔHf, kcal/mol:

-223.07

Dipole, Da:

4.08

IP(EA), eV:

 -8.52(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-[(3-methoxybenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations