Geometry & MOs

Info

ID:

116219

PubChem CID:

50551569

Reduced:

ClFO5N6C37H48 (1)

Stoich.:

ABC5D6E37F48 (1)

Weight, g/mol:

696.263852

ΔHf, kcal/mol:

-270.88

Dipole, Da:

2.63

IP(EA), eV:

 -8.94(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-fluoro-5-[(4-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC(C5)C)F

DOS

IR

Vibrations