Geometry & MOs

Info

ID:	382556
PubChem CID:	134973794
Reduced:	SO4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	595.170665
ΔH_f, kcal/mol:	-113.08
Dipole, Da:	9.99
IP(EA), eV:	-9.29(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@]12CC=C[C@H](C1)OC3=C(C2=O)C(=O)O[C@@]3(C)SC4=CC=CC=C4

DOS

IR

Vibrations