Geometry & MOs

Info

ID:	48537
PubChem CID:	11108074
Reduced:	SN2O2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	260.162374
ΔH_f, kcal/mol:	-21.07
Dipole, Da:	1.44
IP(EA), eV:	-9.21(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R,5R,6S)-6-(2-hydroxyethyl)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl acetate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)N2C(SCC2=O)C3=CC=CO3

DOS

IR

Vibrations