Geometry & MOs

Info

ID:

223833

PubChem CID:

85335636

Reduced:

ClSF2N2O6C24H27 (1)

Stoich.:

ABC2D2E6F24G27 (1)

Weight, g/mol:

591.261436

ΔHf, kcal/mol:

-311.46

Dipole, Da:

5.2

IP(EA), eV:

 -9.54(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl N-[3-hydroxy-4-[[3-methoxy-4-(methylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(COC(=O)N1CCN(CC1)C(=O)COC)C(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations