Geometry & MOs

Info

ID:	87042
PubChem CID:	49890903
Reduced:	SN2O7C26H28 (1)
Stoich.:	AB2C7D26E28 (1)
Weight, g/mol:	466.92298
ΔH_f, kcal/mol:	-214.23
Dipole, Da:	3.92
IP(EA), eV:	-8.93(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)OCCOC4=CC=CC=C4

DOS

IR

Vibrations