Geometry & MOs

Info

ID:

119759

PubChem CID:

50700374

Reduced:

ClO5N6C36H41 (1)

Stoich.:

AB5C6D36E41 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-176.34

Dipole, Da:

7.97

IP(EA), eV:

 -8.22(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[4-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations