Geometry & MOs

Info

ID:	412736
PubChem CID:	135085650
Reduced:	NC8H13 (1)
Stoich.:	AB8C13 (1)
Weight, g/mol:	335.94895
ΔH_f, kcal/mol:	10.0
Dipole, Da:	1.81
IP(EA), eV:	-9.52(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-acetyl-4-bromo-5-methylthiophen-3-yl)sulfanylacetate

Drug info:

PubChemData

Smile

CC(=C)C1=NCCCC1

DOS

IR

Vibrations