Geometry & MOs

Info

ID:	88159
PubChem CID:	49901940
Reduced:	SBr2N2O5H24C28 (1)
Stoich.:	AB2C2D5E24F28 (1)
Weight, g/mol:	490.083472
ΔH_f, kcal/mol:	-120.45
Dipole, Da:	3.07
IP(EA), eV:	-8.83(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[(Z)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzoate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)Br)OCC(=O)NC4=CC=CC(=C4)C

DOS

IR

Vibrations