Geometry & MOs

Info

ID:

97792

PubChem CID:

50035040

Reduced:

F4O4N5C33H33 (1)

Stoich.:

A4B4C5D33E33 (1)

Weight, g/mol:

778.365425

ΔHf, kcal/mol:

-295.12

Dipole, Da:

10.56

IP(EA), eV:

 -9.04(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(5-fluoro-2-methylphenyl)carbamoyl]-6-methylphenyl]-1-[1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations