Geometry & MOs

Info

ID:	248690
PubChem CID:	103083663
Reduced:	BrNOSH10C12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	294.96665
ΔH_f, kcal/mol:	9.49
Dipole, Da:	2.45
IP(EA), eV:	-9.57(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC=C(S2)C(=O)C

DOS

IR

Vibrations