Geometry & MOs

Info

ID:	424272
PubChem CID:	135121996
Reduced:	BSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-153.15
Dipole, Da:	4.57
IP(EA), eV:	-8.5(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)S

DOS

IR

Vibrations