Geometry & MOs

Info

ID:	412716
PubChem CID:	135085630
Reduced:	O3C11H18 (1)
Stoich.:	A3B11C18 (1)
Weight, g/mol:	321.9333
ΔH_f, kcal/mol:	-161.03
Dipole, Da:	4.61
IP(EA), eV:	-10.03(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-acetyl-4-bromothiophen-3-yl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1(CCC(=O)C[C@H]1CC(=O)OC)C

DOS

IR

Vibrations