Geometry & MOs

Info

ID:

51851

PubChem CID:

12014605

Reduced:

BiSO3H30C32 (1)

Stoich.:

ABC3D30E32 (1)

Weight, g/mol:

689.15631

ΔHf, kcal/mol:

103.56

Dipole, Da:

2.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.127657

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)S(=O)(=O)O)C.C1=CC=C(C=C1)[Bi](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations