Geometry & MOs

Info

ID:	37797
PubChem CID:	8024551
Reduced:	OS2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	288.037763
ΔH_f, kcal/mol:	-6.35
Dipole, Da:	3.57
IP(EA), eV:	-8.31(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-amino-6-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@H](C)SC2=NN=C(S2)NC3=CC=C(C=C3)C

DOS

IR

Vibrations