Geometry & MOs

Info

ID:	56355
PubChem CID:	17425162
Reduced:	ClSO2N4H15C16 (1)
Stoich.:	ABC2D4E15F16 (1)
Weight, g/mol:	327.140533
ΔH_f, kcal/mol:	-8.98
Dipole, Da:	3.98
IP(EA), eV:	-8.83(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-(2-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C3=NN=C(SC3)NCC4=CC=CO4)NC1=O.Cl

DOS

IR

Vibrations