Geometry & MOs

Info

ID:

98002

PubChem CID:

50037896

Reduced:

FN3O3C18H21 (2)

Stoich.:

AB3C3D18E21 (2)

Weight, g/mol:

635.290783

ΔHf, kcal/mol:

-305.01

Dipole, Da:

3.64

IP(EA), eV:

 -8.23(-0.81)

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-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations