Geometry & MOs

Info

ID:

188526

PubChem CID:

77728309

Reduced:

FS2N3O9C29H36 (1)

Stoich.:

AB2C3D9E29F36 (1)

Weight, g/mol:

665.224086

ΔHf, kcal/mol:

-398.25

Dipole, Da:

3.67

IP(EA), eV:

 -9.44(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[1-(4,4-dimethyl-1,3-thiazolidin-2-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1,3-dioxopropan-2-yl]-(4-fluorophenyl)sulfonylamino]phenyl] 2-(hydroxymethyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)OC(C)(C)C)N(C1=CC=C(C=C1)OC(=O)N2CCS(=O)(=O)CC2)C(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations