Geometry & MOs

Info

ID:	86777
PubChem CID:	49889214
Reduced:	BrClNSO3H17C20 (1)
Stoich.:	ABCDE3F17G20 (1)
Weight, g/mol:	585.98679
ΔH_f, kcal/mol:	-73.56
Dipole, Da:	4.26
IP(EA), eV:	-9.28(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations