Geometry & MOs

Info

ID:	380427
PubChem CID:	134970873
Reduced:	SO4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	318.09258
ΔH_f, kcal/mol:	-129.08
Dipole, Da:	0.75
IP(EA), eV:	-8.67(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-ethylsulfanyl-3-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione

Drug info:

PubChemData

Smile

CCS[C@H]1[C@H](C(OC2=C1C(=O)C3=CC=CC=C3C2=O)(C)C)O

DOS

IR

Vibrations