Geometry & MOs

Info

ID:	87166
PubChem CID:	49892813
Reduced:	BrSCl2N2O5H19C26 (1)
Stoich.:	ABC2D2E5F19G26 (1)
Weight, g/mol:	527.036099
ΔH_f, kcal/mol:	-118.35
Dipole, Da:	3.9
IP(EA), eV:	-8.97(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)Br)OCC(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations