Geometry & MOs

Info

ID:

99369

PubChem CID:

50050319

Reduced:

F3O3N4H27C28 (1)

Stoich.:

A3B3C4D27E28 (1)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-203.27

Dipole, Da:

7.88

IP(EA), eV:

 -8.94(-0.48)

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-[(4-fluoro-2-methylphenyl)carbamoyl]-6-methylphenyl]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)NC4=CC=C(C=C4)F

DOS

IR

Vibrations