Geometry & MOs

Info

ID:	429452
PubChem CID:	135169501
Reduced:	ClSO2N4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	202.045236
ΔH_f, kcal/mol:	-32.75
Dipole, Da:	4.87
IP(EA), eV:	-8.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-benzothiophen-2-yl)-2,3-dihydrofuran

Drug info:

PubChemData

Smile

C1CCC([C@H](C1)O)NC2=NC3=C(S2)C=C(C=C3)OCC4=C(C(=NC=C4)N)Cl

DOS

IR

Vibrations