Geometry & MOs

Info

ID:	88411
PubChem CID:	49903345
Reduced:	BrClNSO3H15C19 (1)
Stoich.:	ABCDE3F15G19 (1)
Weight, g/mol:	523.00891
ΔH_f, kcal/mol:	-72.05
Dipole, Da:	4.94
IP(EA), eV:	-9.15(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)Cl)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br

DOS

IR

Vibrations