Geometry & MOs

Info

ID:	420765
PubChem CID:	135114780
Reduced:	NS2O3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	252.104482
ΔH_f, kcal/mol:	-111.03
Dipole, Da:	3.41
IP(EA), eV:	-9.4(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-1H-imidazol-5-yl)methyl-(1,3-thiazol-2-ylmethyl)amino]ethanol

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)S(=O)(=O)C3=CC=CS3)O

DOS

IR

Vibrations