Geometry & MOs

Info

ID:

111426

PubChem CID:

50366154

Reduced:

ClN6O6C35H45 (1)

Stoich.:

AB6C6D35E45 (1)

Weight, g/mol:

668.23218

ΔHf, kcal/mol:

-252.64

Dipole, Da:

6.65

IP(EA), eV:

 -8.84(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-3-carbamoylanilino)-2-oxoethyl]-1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations