Geometry & MOs

Info

ID:

110741

PubChem CID:

50338477

Reduced:

FO4N5C34H38 (1)

Stoich.:

AB4C5D34E38 (1)

Weight, g/mol:

641.22051

ΔHf, kcal/mol:

-166.78

Dipole, Da:

9.36

IP(EA), eV:

 -8.86(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(phenylcarbamoyl)phenyl]-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)NC4=CC=C(C=C4)C(=O)N5CCCCC5

DOS

IR

Vibrations