Geometry & MOs

Info

ID:

102346

PubChem CID:

50066494

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

516.253669

ΔHf, kcal/mol:

-240.13

Dipole, Da:

5.75

IP(EA), eV:

 -8.73(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations