Geometry & MOs

Info

ID:	165614
PubChem CID:	74575650
Reduced:	SO2N5C17H29 (1)
Stoich.:	AB2C5D17E29 (1)
Weight, g/mol:	363.107993
ΔH_f, kcal/mol:	-50.58
Dipole, Da:	13.71
IP(EA), eV:	-7.97(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-[2-(4-methoxyphenyl)-2-oxoethoxy]-5-oxo-2H-furan-4-olate

Drug info:

PubChemData

Smile

CC[NH+](CC)CCNNC=C1C(=NC(=S)N(C1=O)C2CCCCC2)[O-]

DOS

IR

Vibrations