Geometry & MOs

Info

ID:	392072
PubChem CID:	135012566
Reduced:	O2N4C31H38 (1)
Stoich.:	A2B4C31D38 (1)
Weight, g/mol:	334.162768
ΔH_f, kcal/mol:	20.16
Dipole, Da:	3.51
IP(EA), eV:	-8.66(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3R)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate

Drug info:

PubChemData

Smile

CN1CC2C3=CC=CC=C3OCC4=CC(=CC=C4)COC5=CC=CC=C5C6CN(CN6CCCN2C1)C

DOS

IR

Vibrations