Geometry & MOs

Info

ID:

98820

PubChem CID:

50046496

Reduced:

F3O5N6H35C37 (1)

Stoich.:

A3B5C6D35E37 (1)

Weight, g/mol:

696.287175

ΔHf, kcal/mol:

-260.51

Dipole, Da:

8.13

IP(EA), eV:

 -8.85(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[3-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations