Geometry & MOs

Info

ID:

120596

PubChem CID:

50736245

Reduced:

ClO5N6C29H37 (1)

Stoich.:

AB5C6D29E37 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-209.71

Dipole, Da:

8.43

IP(EA), eV:

 -8.78(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(butan-2-ylcarbamoyl)-5-chloroanilino]-3-oxopropyl]-1-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C(=O)N

DOS

IR

Vibrations