Geometry & MOs

Info

ID:	221861
PubChem CID:	85291447
Reduced:	O2S2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	270.165121
ΔH_f, kcal/mol:	-63.79
Dipole, Da:	7.31
IP(EA), eV:	-8.7(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxyheptyl)-4-trimethylsilyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CCCC=C(SC)S(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations