Geometry & MOs

Info

ID:	87863
PubChem CID:	49898080
Reduced:	BrSCl2N2O4H17C24 (1)
Stoich.:	ABC2D2E4F17G24 (1)
Weight, g/mol:	577.018735
ΔH_f, kcal/mol:	-66.31
Dipole, Da:	5.07
IP(EA), eV:	-9.43(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl)Br)OCC4=CC=NC=C4

DOS

IR

Vibrations