Geometry & MOs

Info

ID:

184368

PubChem CID:

77152451

Reduced:

ClFSO2N4C15H16 (1)

Stoich.:

ABCD2E4F15G16 (1)

Weight, g/mol:

700.339352

ΔHf, kcal/mol:

-45.94

Dipole, Da:

8.76

IP(EA), eV:

 -8.86(-1.92)

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-[4-[2,2-dimethylpent-4-enyl-(2-hex-5-enoxy-4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)NNC2=C3C=C4C=C(C(=CC4=N3)F)S(=O)(=O)N

DOS

IR

Vibrations