Geometry & MOs

Info

ID:	402240
PubChem CID:	135055130
Reduced:	PC3H5O6 (2)
Stoich.:	AB3C5D6 (2)
Weight, g/mol:	440.176979
ΔH_f, kcal/mol:	-430.21
Dipole, Da:	0.41
IP(EA), eV:	-10.67(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (3aR)-1,1-dioxo-3a-phenylspiro[4,6-dihydro-3H-pyrrolo[1,2-b][1,2,5]thiadiazole-5,1'-cyclohexane]-2-carboxylate

Drug info:

PubChemData

Smile

C([C@@H]1C(C([C@](O1)(COP(=O)([O-])[O-])O)O)O)OP(=O)([O-])[O-]

DOS

IR

Vibrations