Geometry & MOs

Info

ID:

113213

PubChem CID:

50435441

Reduced:

F2N6O6C33H36 (1)

Stoich.:

A2B6C6D33E36 (1)

Weight, g/mol:

734.359197

ΔHf, kcal/mol:

-292.66

Dipole, Da:

6.77

IP(EA), eV:

 -8.83(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N)OC)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations