Geometry & MOs

Info

ID:	436824
PubChem CID:	135211986
Reduced:	Cl2O3N4C39H50 (1)
Stoich.:	A2B3C4D39E50 (1)
Weight, g/mol:	334.069794
ΔH_f, kcal/mol:	-112.99
Dipole, Da:	5.17
IP(EA), eV:	-8.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyloxolan-3-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)CN2CCC3=C(C2)C=CC(=C3)C4=C(N=C(C(=C4N5CCC(CC5)(C)C)CC(=O)O)Cl)CN(C)CC6CCOCC6

DOS

IR

Vibrations