Geometry & MOs

Info

ID:	209188
PubChem CID:	80637107
Reduced:	BrClON2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	201.028206
ΔH_f, kcal/mol:	28.27
Dipole, Da:	2.81
IP(EA), eV:	-9.1(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1OC2=C(C=C(C=C2)Cl)Br)CNC3CC3

DOS

IR

Vibrations