Geometry & MOs

Info

ID:	424448
PubChem CID:	135122711
Reduced:	SO2F3N6C29H29 (1)
Stoich.:	AB2C3D6E29F29 (1)
Weight, g/mol:	324.020965
ΔH_f, kcal/mol:	-111.16
Dipole, Da:	4.17
IP(EA), eV:	-8.74(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3E)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[hydroxy(methoxy)methylidene]imidazo[1,2-a]pyridin-4-ium-2-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1/C=C(\C)/C=N\N=C/2\N(C(=O)CS2)C3=CC=CC=C3C(C)C)N(C)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations