Geometry & MOs

Info

ID:	87524
PubChem CID:	49895214
Reduced:	BrNSO6H22C23 (1)
Stoich.:	ABCD6E22F23 (1)
Weight, g/mol:	367.087829
ΔH_f, kcal/mol:	-181.09
Dipole, Da:	7.09
IP(EA), eV:	-8.99(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] acetate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3C)Br)OCC(=O)OC

DOS

IR

Vibrations