Geometry & MOs

Info

ID:

102264

PubChem CID:

50065738

Reduced:

FO5N6C32H35 (1)

Stoich.:

AB5C6D32E35 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-207.03

Dipole, Da:

2.54

IP(EA), eV:

 -8.74(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(diethylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-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=CC=C4C(=O)NC

DOS

IR

Vibrations