Geometry & MOs

Info

ID:

112016

PubChem CID:

50392119

Reduced:

FN6O7C40H49 (1)

Stoich.:

AB6C7D40E49 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-302.75

Dipole, Da:

9.35

IP(EA), eV:

 -8.2(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)F)OC)C(=O)N5CCOCC5

DOS

IR

Vibrations