Geometry & MOs

Info

ID:

116609

PubChem CID:

50568012

Reduced:

ClFN5O5C33H37 (1)

Stoich.:

ABC5D5E33F37 (1)

Weight, g/mol:

637.246725

ΔHf, kcal/mol:

-209.99

Dipole, Da:

4.08

IP(EA), eV:

 -8.79(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[4-fluoro-3-[(2-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC(=CC=C4)OC)Cl

DOS

IR

Vibrations