Geometry & MOs

Info

ID:	175102
PubChem CID:	75855859
Reduced:	OS3N4C14H18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	395.117787
ΔH_f, kcal/mol:	46.82
Dipole, Da:	4.1
IP(EA), eV:	-8.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=CS1)SC2=NN=C(S2)NC3CC3

DOS

IR

Vibrations