Geometry & MOs

Info

ID:	386119
PubChem CID:	134980825
Reduced:	SO3C16H18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	334.087495
ΔH_f, kcal/mol:	-98.53
Dipole, Da:	3.15
IP(EA), eV:	-8.44(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-4a-(benzenesulfonyl)-2,2-dimethyl-8,8a-dihydro-3H-chromene-4,7-dione

Drug info:

PubChemData

Smile

CC(=O)OC1=C(CC(CC1)(C)C=O)SC2=CC=CC=C2

DOS

IR

Vibrations