Geometry & MOs

Info

ID:

110056

PubChem CID:

50307256

Reduced:

FO5N6C37H37 (1)

Stoich.:

AB5C6D37E37 (1)

Weight, g/mol:

682.271525

ΔHf, kcal/mol:

-170.58

Dipole, Da:

6.35

IP(EA), eV:

 -8.84(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations