Geometry & MOs

Info

ID:	42130
PubChem CID:	8149221
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-154.72
Dipole, Da:	4.73
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(3R,4R)-4-(4-benzylpiperazine-1,4-diium-1-yl)-1,1-dioxothiolan-3-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@@H](C)N3CCOCC3)C

DOS

IR

Vibrations