Geometry & MOs

Info

ID:	87559
PubChem CID:	49895383
Reduced:	ClSN2O4H21C26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	615.02126
ΔH_f, kcal/mol:	-90.98
Dipole, Da:	2.16
IP(EA), eV:	-9.07(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-iodo-6-methoxy-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Cl)OCC(=O)NC4=CC=CC=C4)/SC2=O

DOS

IR

Vibrations