Geometry & MOs

Info

ID:	260227
PubChem CID:	103185379
Reduced:	SN2O4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	324.023849
ΔH_f, kcal/mol:	-88.56
Dipole, Da:	3.58
IP(EA), eV:	-9.07(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-4-nitropyridin-2-yl)methylsulfanyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)CSCC(C)C(=O)OC

DOS

IR

Vibrations