Geometry & MOs

Info

ID:	179717
PubChem CID:	76521612
Reduced:	FOC22H25 (1)
Stoich.:	ABC22D25 (1)
Weight, g/mol:	566.309098
ΔH_f, kcal/mol:	-72.25
Dipole, Da:	3.38
IP(EA), eV:	-8.86(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclohexanecarbonyloxy)-3,5-dihydroxy-6-[(4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydrochromen-7-yl)oxy]oxan-2-yl]methyl cyclohexanecarboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(C)(C)C2(CCC3=CC=CC=C3C2=O)F)C)C

DOS

IR

Vibrations