Geometry & MOs

Info

ID:	164917
PubChem CID:	74472132
Reduced:	O3N5C14H25 (1)
Stoich.:	A3B5C14D25 (1)
Weight, g/mol:	462.025209
ΔH_f, kcal/mol:	-106.04
Dipole, Da:	4.11
IP(EA), eV:	-9.13(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[5-[[2-(N-acetyl-4-methoxyanilino)-1,3-thiazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Drug info:

PubChemData

Smile

CC[NH+](CC)CC(C[N+]1=CN=C2C1C(=O)N(C(=O)N2C)C)O

DOS

IR

Vibrations