Geometry & MOs

Info

ID:

116450

PubChem CID:

50561052

Reduced:

ClN6O7C36H47 (1)

Stoich.:

AB6C7D36E47 (1)

Weight, g/mol:

654.329646

ΔHf, kcal/mol:

-277.23

Dipole, Da:

10.17

IP(EA), eV:

 -8.88(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-6-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCCCC2)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC

DOS

IR

Vibrations