Geometry & MOs

Info

ID:	218250
PubChem CID:	85089089
Reduced:	SN2O4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	442.115367
ΔH_f, kcal/mol:	-103.1
Dipole, Da:	3.24
IP(EA), eV:	-9.08(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethyl] methanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)NC2CCN(C2)CCCOC3=CC=C(C=C3)C(=O)C4CC4

DOS

IR

Vibrations