Geometry & MOs

Info

ID:

188525

PubChem CID:

77727836

Reduced:

N2S2O4C15H18 (1)

Stoich.:

A2B2C4D15E18 (1)

Weight, g/mol:

653.1877

ΔHf, kcal/mol:

-124.65

Dipole, Da:

4.41

IP(EA), eV:

 -9.51(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]phenyl] 1,1-dioxo-1,4-thiazinane-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1C2C(=CCN2C(=O)C3=CC=CS3)N(C1=O)S(=O)(=O)C

DOS

IR

Vibrations