Geometry & MOs

Info

ID:

115912

PubChem CID:

50538932

Reduced:

Cl2O5N6C34H44 (1)

Stoich.:

A2B5C6D34E44 (1)

Weight, g/mol:

710.335875

ΔHf, kcal/mol:

-211.42

Dipole, Da:

6.73

IP(EA), eV:

 -8.97(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[5-(cyclohexanecarbonylamino)-2-fluoroanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)N(C)C)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC4

DOS

IR

Vibrations