Geometry & MOs

Info

ID:	221986
PubChem CID:	85293196
Reduced:	SN2O4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	438.298139
ΔH_f, kcal/mol:	-80.43
Dipole, Da:	5.11
IP(EA), eV:	-8.45(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylidene]-5-[10-(oxan-2-yloxy)decyl]oxolan-2-one

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1)OCC2C(CCC(O2)SC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations