Geometry & MOs

Info

ID:	88309
PubChem CID:	49902873
Reduced:	BrNSO6H20C22 (1)
Stoich.:	ABCD6E20F22 (1)
Weight, g/mol:	558.97589
ΔH_f, kcal/mol:	-179.07
Dipole, Da:	6.3
IP(EA), eV:	-8.93(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OC

DOS

IR

Vibrations