Geometry & MOs

Info

ID:	150118
PubChem CID:	53789804
Reduced:	ClPO4C19H24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	452.168247
ΔH_f, kcal/mol:	-201.38
Dipole, Da:	2.94
IP(EA), eV:	-8.77(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOP(=O)(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C[C@H](CCl)O

DOS

IR

Vibrations