Geometry & MOs

Info

ID:	206642
PubChem CID:	80277613
Reduced:	ClFSO2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	228.129634
ΔH_f, kcal/mol:	-111.52
Dipole, Da:	1.98
IP(EA), eV:	-9.14(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/CSC1=CC(=C(C=C1)F)Cl

DOS

IR

Vibrations