Geometry & MOs

Info

ID:

118144

PubChem CID:

50630689

Reduced:

ClFN5O5H35C36 (1)

Stoich.:

ABC5D5E35F36 (1)

Weight, g/mol:

671.231075

ΔHf, kcal/mol:

-166.61

Dipole, Da:

9.86

IP(EA), eV:

 -8.41(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=CC=C2)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations