Geometry & MOs

Info

ID:	46217
PubChem CID:	10523304
Reduced:	O5H16C23 (1)
Stoich.:	A5B16C23 (1)
Weight, g/mol:	372.157288
ΔH_f, kcal/mol:	-131.08
Dipole, Da:	4.59
IP(EA), eV:	-8.72(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-5-[(2R,3R)-3-hydroxybutan-2-yl]-6,8-dimethyl-3-(2-methyl-4-oxo-2,3-dihydropyran-6-yl)chromen-2-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C4C(=C3)CCC5=CC=CC=C54)O

DOS

IR

Vibrations