Geometry & MOs

Info

ID:

120251

PubChem CID:

50719506

Reduced:

ClO5N6C34H47 (1)

Stoich.:

AB5C6D34E47 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-234.0

Dipole, Da:

8.18

IP(EA), eV:

 -8.49(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations