Geometry & MOs

Info

ID:	87639
PubChem CID:	49896185
Reduced:	SN2O5H26C28 (1)
Stoich.:	AB2C5D26E28 (1)
Weight, g/mol:	585.01069
ΔH_f, kcal/mol:	-125.27
Dipole, Da:	2.71
IP(EA), eV:	-8.91(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations