Geometry & MOs

Info

ID:	171293
PubChem CID:	75354051
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	348.060235
ΔH_f, kcal/mol:	-43.78
Dipole, Da:	14.92
IP(EA), eV:	-8.34(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-thiophen-2-ylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1=C([O-])OC)C2=CN=CC=C2)C#N)S.C1COCC[NH2+]1

DOS

IR

Vibrations