Geometry & MOs

Info

ID:	179369
PubChem CID:	76472517
Reduced:	S2O6C9H20 (1)
Stoich.:	A2B6C9D20 (1)
Weight, g/mol:	444.268731
ΔH_f, kcal/mol:	-287.89
Dipole, Da:	4.52
IP(EA), eV:	-9.04(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,3-difluoro-8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-7-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

C(C(CS)OC(CS)C(C(C(CO)O)O)O)O

DOS

IR

Vibrations