Geometry & MOs

Info

ID:

108180

PubChem CID:

50233855

Reduced:

ClFO5N6C33H36 (1)

Stoich.:

ABC5D6E33F36 (1)

Weight, g/mol:

579.20486

ΔHf, kcal/mol:

-219.49

Dipole, Da:

2.05

IP(EA), eV:

 -8.95(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-chlorophenyl)-1-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC)C

DOS

IR

Vibrations