Geometry & MOs

Info

ID:	402056
PubChem CID:	135054095
Reduced:	NO5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	248.083078
ΔH_f, kcal/mol:	-149.14
Dipole, Da:	4.17
IP(EA), eV:	-9.83(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3aS)-5,5-dimethyl-1,1-dioxo-3,3a,4,6-tetrahydropyrrolo[1,2-b][1,2,5]thiadiazole-2-carboxylate

Drug info:

PubChemData

Smile

CN(OC)OC(=O)C[C@H]([C@@H](C1=CC=CC=C1)O)O

DOS

IR

Vibrations