Geometry & MOs

Info

ID:	128784
PubChem CID:	51057732
Reduced:	BrN2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	346.995382
ΔH_f, kcal/mol:	-14.69
Dipole, Da:	4.65
IP(EA), eV:	-8.25(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)-(4-chlorophenyl)methanone;thiocyanate

Drug info:

PubChemData

Smile

CCC1=C[N+](=C(C=C1)C)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

DOS

IR

Vibrations