Geometry & MOs

Info

ID:	313332
PubChem CID:	126613874
Reduced:	PS2O4C5H9 (1)
Stoich.:	AB2C4D5E9 (1)
Weight, g/mol:	274.19328
ΔH_f, kcal/mol:	-234.13
Dipole, Da:	4.16
IP(EA), eV:	-9.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-ditert-butyl-2-methoxy-5-prop-2-ynoxybenzene

Drug info:

PubChemData

Smile

C=CC(=O)OCCSP(=S)(O)O

DOS

IR

Vibrations