Geometry & MOs

Info

ID:	160327
PubChem CID:	57309674
Reduced:	O2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	448.109293
ΔH_f, kcal/mol:	-143.85
Dipole, Da:	1.6
IP(EA), eV:	-9.13(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,1,3-benzothiadiazol-5-yl)-4-(furan-2-ylmethyl)-5-hydroxy-5-(4-propoxyphenyl)furan-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)O[C@H]([C@@H](O2)CO)CO

DOS

IR

Vibrations