Geometry & MOs

Info

ID:	232980
PubChem CID:	87577859
Reduced:	ClN4O4C14H19 (1)
Stoich.:	AB4C4D14E19 (1)
Weight, g/mol:	203.991486
ΔH_f, kcal/mol:	-156.6
Dipole, Da:	4.78
IP(EA), eV:	-9.56(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl thiophene-2-sulfonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C(=O)O)Cl

DOS

IR

Vibrations