Geometry & MOs

Info

ID:	49008
PubChem CID:	11528609
Reduced:	SO3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	214.05647
ΔH_f, kcal/mol:	-122.45
Dipole, Da:	3.11
IP(EA), eV:	-9.07(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-indol-3-ylmethyl)-1,3-thiazole

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)[C@@](C)(C1=CSC=C1)O

DOS

IR

Vibrations