Geometry & MOs

Info

ID:

115770

PubChem CID:

50533519

Reduced:

ClN6O6C37H51 (1)

Stoich.:

AB6C6D37E51 (1)

Weight, g/mol:

668.345296

ΔHf, kcal/mol:

-274.3

Dipole, Da:

10.6

IP(EA), eV:

 -7.89(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)OC)Cl

DOS

IR

Vibrations