Geometry & MOs

Info

ID:	20448
PubChem CID:	584013
Reduced:	NS2O3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	305.018036
ΔH_f, kcal/mol:	-45.57
Dipole, Da:	3.77
IP(EA), eV:	-9.08(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid

Drug info:

PubChemData

Smile

C=CCN1C(=O)C(=CC2=CC=CC=C2C(=O)O)SC1=S

DOS

IR

Vibrations