Geometry & MOs

Info

ID:	218860
PubChem CID:	85090076
Reduced:	SP2O7C22H48 (1)
Stoich.:	AB2C7D22E48 (1)
Weight, g/mol:	518.266839
ΔH_f, kcal/mol:	-529.6
Dipole, Da:	3.21
IP(EA), eV:	-8.87(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[5-(7-methoxycarbonylnaphthalen-2-yl)hexyl]-2,2-dimethyl-1,3-dioxane-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCSCC(COP(=O)(O)OCCCC)OP(=O)(CCCCCCC)O

DOS

IR

Vibrations