Geometry & MOs

Info

ID:	124060
PubChem CID:	50871517
Reduced:	OF2N2S2H16C25 (1)
Stoich.:	AB2C2D2E16F25 (1)
Weight, g/mol:	572.997043
ΔH_f, kcal/mol:	-1.38
Dipole, Da:	6.34
IP(EA), eV:	-8.54(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(E)-[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)/C=C/4\C(=O)N(C(=S)S4)C5=CC(=CC=C5)F

DOS

IR

Vibrations