Geometry & MOs

Info

ID:	372351
PubChem CID:	131296528
Reduced:	BrClNSH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	302.91203
ΔH_f, kcal/mol:	34.11
Dipole, Da:	2.5
IP(EA), eV:	-9.31(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-5-(chloromethyl)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCC1=C(N=C(S1)C2=CC(=CC=C2)Br)CCl

DOS

IR

Vibrations