Geometry & MOs

Info

ID:

117443

PubChem CID:

50603269

Reduced:

ClFN5O5C34H39 (1)

Stoich.:

ABC5D5E34F39 (1)

Weight, g/mol:

651.262375

ΔHf, kcal/mol:

-217.55

Dipole, Da:

6.6

IP(EA), eV:

 -8.37(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations