Geometry & MOs

Info

ID:	397308
PubChem CID:	135030022
Reduced:	SO3C46H60 (2)
Stoich.:	AB3C46D60 (2)
Weight, g/mol:	1386.868284
ΔH_f, kcal/mol:	-178.22
Dipole, Da:	1.41
IP(EA), eV:	-8.45(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C2=C(SC(=C2C3=CC(=C(C(=C3)C(C)(C)C)[O])C(C)(C)C)C4=CC(=C(C(=C4)C(C)(C)C)[O-])C(C)(C)C)C5=C(C(=C6C=C(C(=O)C(=C6)C(C)(C)C)C(C)(C)C)C(=C7C=C(C(=O)C(=C7)C(C)(C)C)C(C)(C)C)S5)C8=CC(=C(C(=C8)C(C)(C)C)[O])C(C)(C)C

DOS

IR

Vibrations