Geometry & MOs

Info

ID:

110131

PubChem CID:

50312074

Reduced:

ClFN6O6C36H40 (1)

Stoich.:

ABC6D6E36F40 (1)

Weight, g/mol:

635.267461

ΔHf, kcal/mol:

-255.47

Dipole, Da:

4.94

IP(EA), eV:

 -8.84(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations