Geometry & MOs

Info

ID:

109370

PubChem CID:

50281963

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

696.287175

ΔHf, kcal/mol:

-213.81

Dipole, Da:

12.23

IP(EA), eV:

 -8.78(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-[(4-fluorophenyl)methylcarbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=CC=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations