Geometry & MOs

Info

ID:	413112
PubChem CID:	135086056
Reduced:	O7C23H24 (1)
Stoich.:	A7B23C24 (1)
Weight, g/mol:	210.035065
ΔH_f, kcal/mol:	-126.12
Dipole, Da:	3.84
IP(EA), eV:	-8.55(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-prop-1-ynylsulfonylbenzene

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C#CC(C#CC2=CC(=C(C(=C2)OC)OC)OC)O

DOS

IR

Vibrations