Geometry & MOs

Info

ID:

115993

PubChem CID:

50542566

Reduced:

Cl2O5N6C36H48 (1)

Stoich.:

A2B5C6D36E48 (1)

Weight, g/mol:

728.321974

ΔHf, kcal/mol:

-231.56

Dipole, Da:

9.86

IP(EA), eV:

 -8.81(-0.77)

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-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]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)C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations