Geometry & MOs

Info

ID:	284358
PubChem CID:	104045840
Reduced:	NS2O5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	277.032813
ΔH_f, kcal/mol:	-214.16
Dipole, Da:	1.74
IP(EA), eV:	-9.89(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzofuran-2-yl)-4-(3-chloropropyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)OC(=O)C2=CC(=C(S2)C)S(=O)(=O)N

DOS

IR

Vibrations