Geometry & MOs

Info

ID:	313474
PubChem CID:	126614916
Reduced:	N2S2O5H20C21 (1)
Stoich.:	A2B2C5D20E21 (1)
Weight, g/mol:	474.055543
ΔH_f, kcal/mol:	-136.41
Dipole, Da:	10.26
IP(EA), eV:	-8.9(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=C(C=C3)CO)O

DOS

IR

Vibrations