Geometry & MOs

Info

ID:	148979
PubChem CID:	53788650
Reduced:	O7C15H16 (1)
Stoich.:	A7B15C16 (1)
Weight, g/mol:	308.089603
ΔH_f, kcal/mol:	-268.55
Dipole, Da:	5.09
IP(EA), eV:	-9.41(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-methylchromen-2-one

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OC3[C@@H]([C@H]([C@H](O3)CO)O)O

DOS

IR

Vibrations