Geometry & MOs

Info

ID:	147263
PubChem CID:	53786918
Reduced:	SO3N5C10H11 (2)
Stoich.:	AB3C5D10E11 (2)
Weight, g/mol:	333.049336
ΔH_f, kcal/mol:	-87.11
Dipole, Da:	8.42
IP(EA), eV:	-9.24(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-1-(2-sulfanylidene-1,3-thiazol-3-yl)penta-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C1=C(N2[C@H](C(C2=O)NC(=O)C(C3=CC(=CC=C3)O)NC(=O)N=C(N)N)SC1)C(=O)O)SN4C=NN=N4

DOS

IR

Vibrations