Geometry & MOs

Info

ID:

117229

PubChem CID:

50595533

Reduced:

ClFN6O7C36H40 (1)

Stoich.:

ABC6D7E36F40 (1)

Weight, g/mol:

601.22226

ΔHf, kcal/mol:

-283.68

Dipole, Da:

9.28

IP(EA), eV:

 -9.08(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations