Geometry & MOs

Info

ID:

101555

PubChem CID:

50064826

Reduced:

ClFO5N6H36C37 (1)

Stoich.:

ABC5D6E36F37 (1)

Weight, g/mol:

678.296597

ΔHf, kcal/mol:

-179.76

Dipole, Da:

11.31

IP(EA), eV:

 -8.81(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations