Geometry & MOs

Info

ID:

100231

PubChem CID:

50059303

Reduced:

FN6O6C44H49 (1)

Stoich.:

AB6C6D44E49 (1)

Weight, g/mol:

595.315855

ΔHf, kcal/mol:

-235.48

Dipole, Da:

15.24

IP(EA), eV:

 -8.49(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6C)OC

DOS

IR

Vibrations