Geometry & MOs

Info

ID:

120493

PubChem CID:

50730310

Reduced:

ClFO4N5C29H37 (1)

Stoich.:

ABC4D5E29F37 (1)

Weight, g/mol:

651.262375

ΔHf, kcal/mol:

-218.02

Dipole, Da:

6.02

IP(EA), eV:

 -8.79(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]-N-[5-[(2-fluorophenyl)carbamoyl]-2-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)CC

DOS

IR

Vibrations