Geometry & MOs

Info

ID:	405111
PubChem CID:	135072535
Reduced:	ClNSO2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	392.075273
ΔH_f, kcal/mol:	-58.38
Dipole, Da:	7.38
IP(EA), eV:	-9.3(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C2CCCCC2)Cl

DOS

IR

Vibrations