Geometry & MOs

Info

ID:	232936
PubChem CID:	87577745
Reduced:	S2O6N8C23H30 (1)
Stoich.:	A2B6C8D23E30 (1)
Weight, g/mol:	348.071468
ΔH_f, kcal/mol:	-49.79
Dipole, Da:	7.04
IP(EA), eV:	-8.73(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[amino(3H-benzimidazol-5-ylmethylsulfanyl)amino]-4,5-dimethylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C/C=N\NS(=O)(=O)C1=CC(=CC(=C1N(C)CCN2CCN(CC2)S(=O)(=O)C)C3=C4C=CC=CN4N=C3)[N+](=O)[O-]

DOS

IR

Vibrations