Geometry & MOs

Info

ID:	340854
PubChem CID:	127263289
Reduced:	SO13C32H32 (1)
Stoich.:	AB13C32D32 (1)
Weight, g/mol:	285.8598
ΔH_f, kcal/mol:	-443.55
Dipole, Da:	7.28
IP(EA), eV:	-8.47(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrobromide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)[C@@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)OC6[C@@H]([C@H]([C@H]7[C@H](O6)COC(O7)C8=CC=CS8)O)O

DOS

IR

Vibrations