Geometry & MOs

Info

ID:

96321

PubChem CID:

50019770

Reduced:

F2N6O6C39H40 (1)

Stoich.:

A2B6C6D39E40 (1)

Weight, g/mol:

708.307161

ΔHf, kcal/mol:

-267.76

Dipole, Da:

10.74

IP(EA), eV:

 -8.46(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-benzamido-4-methoxyanilino)-2-oxoethyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations