Geometry & MOs

Info

ID:	380997
PubChem CID:	134971619
Reduced:	NO5C17H31 (1)
Stoich.:	AB5C17D31 (1)
Weight, g/mol:	666.395181
ΔH_f, kcal/mol:	-253.48
Dipole, Da:	1.67
IP(EA), eV:	-10.03(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-[(Z)-3-(2-heptyl-1,3-dioxolan-2-yl)prop-1-enyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC(=O)CC/C=C/CC[C@@H]([C@@](CO)(C(=O)O)N)O

DOS

IR

Vibrations