Geometry & MOs

Info

ID:	32611
PubChem CID:	7846967
Reduced:	N2S2O5C17H20 (1)
Stoich.:	A2B2C5D17E20 (1)
Weight, g/mol:	371.098
ΔH_f, kcal/mol:	-175.23
Dipole, Da:	2.83
IP(EA), eV:	-9.18(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9H-fluoren-9-yl 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations