Geometry & MOs

Info

ID:

95285

PubChem CID:

50007744

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

573.275133

ΔHf, kcal/mol:

-161.79

Dipole, Da:

6.85

IP(EA), eV:

 -8.94(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)C)C

DOS

IR

Vibrations