Geometry & MOs

Info

ID:	120903
PubChem CID:	50749790
Reduced:	SN3O4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	459.06557
ΔH_f, kcal/mol:	-95.72
Dipole, Da:	7.06
IP(EA), eV:	-9.12(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[6-(4-chlorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(N3CCS(=O)(=O)C3=N2)C(=O)N

DOS

IR

Vibrations