Geometry & MOs

Info

ID:

110031

PubChem CID:

50306375

Reduced:

FN6O6C36H41 (1)

Stoich.:

AB6C6D36E41 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-238.06

Dipole, Da:

7.4

IP(EA), eV:

 -9.15(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5

DOS

IR

Vibrations