Geometry & MOs

Info

ID:	147856
PubChem CID:	53787514
Reduced:	ON2S2F3C15H19 (1)
Stoich.:	AB2C2D3E15F19 (1)
Weight, g/mol:	328.167459
ΔH_f, kcal/mol:	-217.06
Dipole, Da:	6.71
IP(EA), eV:	-9.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-methoxypropan-2-yl)cyclohexen-1-yl]naphthalene-1,2,4-triol

Drug info:

PubChemData

Smile

C1CC2C3C(C1)SC4CCC(CC4N3C(=S)NC2=O)C(F)(F)F

DOS

IR

Vibrations