Geometry & MOs

Info

ID:	209557
PubChem CID:	80687815
Reduced:	ClNSO3H10C12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	350.85232
ΔH_f, kcal/mol:	-47.61
Dipole, Da:	3.84
IP(EA), eV:	-9.36(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

COCC1=CC(=CC=C1)OC2=NC(=C(S2)C=O)Cl

DOS

IR

Vibrations