Geometry & MOs

Info

ID:	86665
PubChem CID:	49888345
Reduced:	BrClNSO5H29C30 (1)
Stoich.:	ABCDE5F29G30 (1)
Weight, g/mol:	640.92305
ΔH_f, kcal/mol:	-134.18
Dipole, Da:	3.48
IP(EA), eV:	-8.74(-1.51)
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-iodo-6-methoxyphenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations