Geometry & MOs

Info

ID:	387614
PubChem CID:	134986167
Reduced:	SeO2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	202.048607
ΔH_f, kcal/mol:	-47.92
Dipole, Da:	1.02
IP(EA), eV:	-8.59(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butanethioyl-5-methylthiolan-2-one

Drug info:

PubChemData

Smile

COC(=O)/C(=C\C1=CC=CC=C1)/[Se]C

DOS

IR

Vibrations