Geometry & MOs

Info

ID:

219584

PubChem CID:

85149345

Reduced:

NO5C38H39 (1)

Stoich.:

AB5C38D39 (1)

Weight, g/mol:

589.191643

ΔHf, kcal/mol:

-80.97

Dipole, Da:

2.74

IP(EA), eV:

 -8.71(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[1,3-benzothiazol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C(C(C(C(O2)C3=CC=CN3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations