Geometry & MOs

Info

ID:	171018
PubChem CID:	75312593
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	429.070952
ΔH_f, kcal/mol:	-107.22
Dipole, Da:	8.04
IP(EA), eV:	-8.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(dimethylamino)ethyl 3-[5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate;chloride

Drug info:

PubChemData

Smile

CCOC1=C(C=C2CCCC2=C1)C=CC(=O)O

DOS

IR

Vibrations