Geometry & MOs

Info

ID:

105398

PubChem CID:

50107109

Reduced:

F2O4N5C32H35 (1)

Stoich.:

A2B4C5D32E35 (1)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-228.16

Dipole, Da:

11.68

IP(EA), eV:

 -8.56(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)C)F)C

DOS

IR

Vibrations