Geometry & MOs

Info

ID:

115173

PubChem CID:

50511870

Reduced:

Cl2O5N6C33H40 (1)

Stoich.:

A2B5C6D33E40 (1)

Weight, g/mol:

746.335875

ΔHf, kcal/mol:

-209.42

Dipole, Da:

8.34

IP(EA), eV:

 -9.03(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations