Geometry & MOs

Info

ID:

106468

PubChem CID:

50164462

Reduced:

ClO5N6C38H53 (1)

Stoich.:

AB5C6D38E53 (1)

Weight, g/mol:

728.345296

ΔHf, kcal/mol:

-239.27

Dipole, Da:

11.84

IP(EA), eV:

 -9.04(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations