Geometry & MOs

Info

ID:

107582

PubChem CID:

50209484

Reduced:

FO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

573.275133

ΔHf, kcal/mol:

-176.29

Dipole, Da:

5.02

IP(EA), eV:

 -8.89(-0.55)

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-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC)C)C

DOS

IR

Vibrations