Geometry & MOs

Info

ID:

112391

PubChem CID:

50405306

Reduced:

F2O5N6C37H44 (1)

Stoich.:

A2B5C6D37E44 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-267.17

Dipole, Da:

9.79

IP(EA), eV:

 -8.79(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(phenylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations