Geometry & MOs

Info

ID:	88175
PubChem CID:	49902171
Reduced:	BrClNSO4H19C25 (1)
Stoich.:	ABCDE4F19G25 (1)
Weight, g/mol:	572.99154
ΔH_f, kcal/mol:	-73.49
Dipole, Da:	4.54
IP(EA), eV:	-8.85(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations