Geometry & MOs

Info

ID:	386039
PubChem CID:	134980596
Reduced:	SO4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	336.13379
ΔH_f, kcal/mol:	-160.91
Dipole, Da:	2.79
IP(EA), eV:	-8.51(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-(dimethoxyphosphorylmethyl)-3,3-dimethylcyclopentane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(CC([C@@H]2[C@H]1CCC2)CSC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations