Geometry & MOs

Info

ID:

98005

PubChem CID:

50037926

Reduced:

F2O4N5C38H39 (1)

Stoich.:

A2B4C5D38E39 (1)

Weight, g/mol:

667.297011

ΔHf, kcal/mol:

-202.41

Dipole, Da:

6.5

IP(EA), eV:

 -8.92(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)C)C

DOS

IR

Vibrations