Geometry & MOs

Info

ID:

113184

PubChem CID:

50434022

Reduced:

N5O5C34H41 (1)

Stoich.:

A5B5C34D41 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-166.24

Dipole, Da:

12.09

IP(EA), eV:

 -8.31(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations