Geometry & MOs

Info

ID:	15207
PubChem CID:	433318
Reduced:	O2S2N3H10C12 (1)
Stoich.:	A2B2C3D10E12 (1)
Weight, g/mol:	292.021444
ΔH_f, kcal/mol:	8.79
Dipole, Da:	3.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.154083
Charge, e:	1

Chem-info

IUPAC name:

2-(4-amino-5-cyano-3-pyridin-1-ium-1-ylthiophen-2-yl)sulfanylacetic acid

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)C2=C(SC(=C2N)C#N)SCC(=O)O

DOS

IR

Vibrations