Geometry & MOs

Info

ID:

102104

PubChem CID:

50065383

Reduced:

FO5N6C37H37 (1)

Stoich.:

AB5C6D37E37 (1)

Weight, g/mol:

682.271525

ΔHf, kcal/mol:

-174.97

Dipole, Da:

13.04

IP(EA), eV:

 -8.82(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(4-fluorobenzoyl)amino]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=C4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations