Geometry & MOs

Info

ID:	168977
PubChem CID:	75048323
Reduced:	SO4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	800.188844
ΔH_f, kcal/mol:	-161.88
Dipole, Da:	1.42
IP(EA), eV:	-9.06(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC(C)(C1C(=O)OC(OC1=O)(C)C)C2=CSC=C2

DOS

IR

Vibrations