Geometry & MOs

Info

ID:

93858

PubChem CID:

49997303

Reduced:

N5O5C32H45 (1)

Stoich.:

A5B5C32D45 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-214.28

Dipole, Da:

9.62

IP(EA), eV:

 -8.76(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[[2-(4-fluorophenyl)acetyl]amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations