Geometry & MOs

Info

ID:	132508
PubChem CID:	51372908
Reduced:	OSN4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	326.132708
ΔH_f, kcal/mol:	44.57
Dipole, Da:	5.35
IP(EA), eV:	-8.91(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-amino-N-(2,3-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2[C@H](SCC(=O)N=C2N(N1)C)C3=CN=CC=C3

DOS

IR

Vibrations