Geometry & MOs

Info

ID:

115831

PubChem CID:

50535558

Reduced:

ClFO5N6C38H44 (1)

Stoich.:

ABC5D6E38F44 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-232.52

Dipole, Da:

7.9

IP(EA), eV:

 -8.64(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]-1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)C)F)C)Cl

DOS

IR

Vibrations