Geometry & MOs

Info

ID:	88476
PubChem CID:	49903685
Reduced:	BrClSN2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	490.083472
ΔH_f, kcal/mol:	-81.12
Dipole, Da:	3.17
IP(EA), eV:	-9.08(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC(=O)NC4=CC=C(C=C4)Cl)/SC2=O)Br

DOS

IR

Vibrations