Geometry & MOs

Info

ID:	218105
PubChem CID:	85088889
Reduced:	O7C24H30 (1)
Stoich.:	A7B24C30 (1)
Weight, g/mol:	430.14501
ΔH_f, kcal/mol:	-300.91
Dipole, Da:	5.23
IP(EA), eV:	-9.57(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonyl)-6-(methoxymethoxymethyl)-5-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

CC12CCC(CC1CCC3C2C(=O)OC34CCC(C4(C)C(=O)O)C5=COC(=O)C=C5)O

DOS

IR

Vibrations