Geometry & MOs

Info

ID:

328499

PubChem CID:

126723629

Reduced:

IO2H17C19 (1)

Stoich.:

AB2C17D19 (1)

Weight, g/mol:

1166.531513

ΔHf, kcal/mol:

-20.25

Dipole, Da:

2.37

IP(EA), eV:

 -8.36(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2,4-dicyclohexyl-6-[3-[2-[3-propan-2-yl-2-sulfo-5-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxyphenyl]propyl]cyclohexyl]phenyl]sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonic acid

Drug info:

PubChemData

Smile

CCC(C)(C(=O)OC1=C2C=CC=CC2=CC3=CC=CC=C31)I

DOS

IR

Vibrations