Geometry & MOs

Info

ID:

119657

PubChem CID:

50695418

Reduced:

ClFO5N6C32H40 (1)

Stoich.:

ABC5D6E32F40 (1)

Weight, g/mol:

720.259374

ΔHf, kcal/mol:

-250.78

Dipole, Da:

7.4

IP(EA), eV:

 -8.72(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-chloro-2-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl

DOS

IR

Vibrations