Geometry & MOs

Info

ID:	191451
PubChem CID:	78148260
Reduced:	NSF3O5C8H16 (1)
Stoich.:	ABC3D5E8F16 (1)
Weight, g/mol:	261.979964
ΔH_f, kcal/mol:	-384.91
Dipole, Da:	3.16
IP(EA), eV:	-9.61(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dichloromethyl)-3,4,6-trihydroxy-2H-inden-1-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)N.C(F)(F)(F)S(=O)(=O)O

DOS

IR

Vibrations