Geometry & MOs

Info

ID:	207955
PubChem CID:	80474262
Reduced:	BrOSC15H17 (1)
Stoich.:	ABCD15E17 (1)
Weight, g/mol:	300.92307
ΔH_f, kcal/mol:	-29.46
Dipole, Da:	3.24
IP(EA), eV:	-9.38(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(C=CS4)Br

DOS

IR

Vibrations