Geometry & MOs

Info

ID:	380269
PubChem CID:	134970667
Reduced:	N2S2O7C14H16 (1)
Stoich.:	A2B2C7D14E16 (1)
Weight, g/mol:	87.019452
ΔH_f, kcal/mol:	-239.24
Dipole, Da:	3.82
IP(EA), eV:	-9.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C(O[C@@H](C(C1OC(=O)C)OC(=O)C)N=C=S)CN=C=S

DOS

IR

Vibrations