Geometry & MOs

Info

ID:	300425
PubChem CID:	121280656
Reduced:	SO4H12C14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	755.565981
ΔH_f, kcal/mol:	-99.78
Dipole, Da:	5.58
IP(EA), eV:	-9.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,6S)-6-[(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethoxy]-3,4,5-tributoxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC#CC(C1OC(=O)CS1)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations