Geometry & MOs

Info

ID:	16845
PubChem CID:	477544
Reduced:	O5C20H22 (1)
Stoich.:	A5B20C22 (1)
Weight, g/mol:	342.146724
ΔH_f, kcal/mol:	-150.54
Dipole, Da:	7.27
IP(EA), eV:	-9.2(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9R,10R)-10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one

Drug info:

PubChemData

Smile

CCCC1=CC(=O)OC2=C3[C@@H]([C@H]([C@@H](OC3=CC(=C12)OCC#C)C)C)O

DOS

IR

Vibrations