Geometry & MOs

Info

ID:

117813

PubChem CID:

50616509

Reduced:

ClFN5O5C30H31 (1)

Stoich.:

ABC5D5E30F31 (1)

Weight, g/mol:

587.20661

ΔHf, kcal/mol:

-203.62

Dipole, Da:

3.38

IP(EA), eV:

 -8.84(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[3-chloro-4-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)Cl)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)OC)F

DOS

IR

Vibrations