Geometry & MOs

Info

ID:	208728
PubChem CID:	80572128
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	-79.36
Dipole, Da:	4.57
IP(EA), eV:	-8.76(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(S1)N2CCC3CCCCC3C2

DOS

IR

Vibrations