Geometry & MOs

Info

ID:	88237
PubChem CID:	49902500
Reduced:	BrINSO4H19C21 (1)
Stoich.:	ABCDE4F19G21 (1)
Weight, g/mol:	572.99154
ΔH_f, kcal/mol:	-81.28
Dipole, Da:	2.57
IP(EA), eV:	-9.04(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1I)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OC

DOS

IR

Vibrations