Geometry & MOs

Info

ID:

104755

PubChem CID:

50105262

Reduced:

O5N6C32H36 (1)

Stoich.:

A5B6C32D36 (1)

Weight, g/mol:

602.265296

ΔHf, kcal/mol:

-162.04

Dipole, Da:

4.78

IP(EA), eV:

 -8.82(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations