Geometry & MOs

Info

ID:

119690

PubChem CID:

50696379

Reduced:

Cl2N6O6C39H46 (1)

Stoich.:

A2B6C6D39E46 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-236.79

Dipole, Da:

7.46

IP(EA), eV:

 -8.7(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[3-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations