Geometry & MOs

Info

ID:	280216
PubChem CID:	103847727
Reduced:	BrN3O3C10H14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	250.077599
ΔH_f, kcal/mol:	-93.27
Dipole, Da:	1.58
IP(EA), eV:	-9.11(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,3-benzothiazol-2-ylamino)methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1Br)NCC2(CCOC2)O

DOS

IR

Vibrations