Geometry & MOs

Info

ID:	205860
PubChem CID:	80166442
Reduced:	SN3O4C12H19 (1)
Stoich.:	AB3C4D12E19 (1)
Weight, g/mol:	309.049336
ΔH_f, kcal/mol:	-101.29
Dipole, Da:	8.91
IP(EA), eV:	-9.47(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid

Drug info:

PubChemData

Smile

CCNC1=C(C=C(C(=C1)C)S(=O)(=O)NC(C)C)[N+](=O)[O-]

DOS

IR

Vibrations