Geometry & MOs

Info

ID:

97280

PubChem CID:

50029615

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-224.45

Dipole, Da:

9.71

IP(EA), eV:

 -8.97(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[(5-fluoro-2-methylphenyl)carbamoyl]-6-methylphenyl]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)NC4=C(C=CC(=C4)F)F)C)C

DOS

IR

Vibrations