Geometry & MOs

Info

ID:

98210

PubChem CID:

50040797

Reduced:

F2N5O6C36H39 (1)

Stoich.:

A2B5C6D36E39 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-277.5

Dipole, Da:

5.65

IP(EA), eV:

 -8.43(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(3,4-dimethylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations