Geometry & MOs

Info

ID:	86752
PubChem CID:	49888899
Reduced:	ClNSO5H20C26 (1)
Stoich.:	ABCD5E20F26 (1)
Weight, g/mol:	585.01069
ΔH_f, kcal/mol:	-121.07
Dipole, Da:	6.7
IP(EA), eV:	-9.24(-1.2)
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-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4)OC

DOS

IR

Vibrations