Geometry & MOs

Info

ID:

228266

PubChem CID:

87563777

Reduced:

SF3O6H13C16 (1)

Stoich.:

AB3C6D13E16 (1)

Weight, g/mol:

1233.377866

ΔHf, kcal/mol:

-348.97

Dipole, Da:

2.52

IP(EA), eV:

 -9.71(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R)-4-[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC(=CC(=C2)CC(=O)O)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations