Geometry & MOs

Info

ID:	146990
PubChem CID:	53776935
Reduced:	NO3S3H11C13 (1)
Stoich.:	AB3C3D11E13 (1)
Weight, g/mol:	430.047956
ΔH_f, kcal/mol:	-41.53
Dipole, Da:	2.9
IP(EA), eV:	-8.71(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-ethyl-1,3-thiazol-2-ylidene)-1-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CSC(=C1)C=CC(=CCC(=O)O)C2=C(NC(=S)S2)O

DOS

IR

Vibrations