Geometry & MOs

Info

ID:

98811

PubChem CID:

50046475

Reduced:

F3O4N5C31H32 (1)

Stoich.:

A3B4C5D31E32 (1)

Weight, g/mol:

696.263852

ΔHf, kcal/mol:

-256.22

Dipole, Da:

6.22

IP(EA), eV:

 -8.94(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-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=C(C=CC(=C4)F)C

DOS

IR

Vibrations