Geometry & MOs

Info

ID:	171225
PubChem CID:	75345779
Reduced:	FNSCl2O5H20C26 (1)
Stoich.:	ABCD2E5F20G26 (1)
Weight, g/mol:	486.091929
ΔH_f, kcal/mol:	-161.47
Dipole, Da:	3.85
IP(EA), eV:	-8.57(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CCOC3=CC=CC=C3Cl)OCC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations