Geometry & MOs

Info

ID:	150119
PubChem CID:	53789805
Reduced:	O5C11H14 (2)
Stoich.:	A5B11C14 (2)
Weight, g/mol:	452.168247
ΔH_f, kcal/mol:	-406.56
Dipole, Da:	7.14
IP(EA), eV:	-8.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-(4-methylcyclohexyl)oxy-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC2=C(C(=O)OC3=C2C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

DOS

IR

Vibrations