Geometry & MOs

Info

ID:	385988
PubChem CID:	134980475
Reduced:	H12C13 (2)
Stoich.:	A12B13 (2)
Weight, g/mol:	450.080695
ΔH_f, kcal/mol:	96.26
Dipole, Da:	0.8
IP(EA), eV:	-9.09(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-4,4-bis(benzenesulfonyl)-7a-methoxy-3a,5,6,7-tetrahydro-3H-1-benzofuran-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@]2([C@@]1([C@H](C(=C)C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations