Geometry & MOs

Info

ID:	396871
PubChem CID:	135029371
Reduced:	SO4C60H80 (1)
Stoich.:	AB4C60D80 (1)
Weight, g/mol:	896.577732
ΔH_f, kcal/mol:	-127.67
Dipole, Da:	2.73
IP(EA), eV:	-8.38(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	-3

Chem-info

IUPAC name:

None

Drug info:

Smile

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C2=C(SC(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C2=C4C=C(C(=O)C(=C4)C(C)(C)C)C(C)(C)C)C5=CC(=C(C(=C5)C(C)(C)C)[O-])C(C)(C)C

DOS

IR

Vibrations