Geometry & MOs

Info

ID:	88365
PubChem CID:	49903063
Reduced:	SCl2N2O5H22C27 (1)
Stoich.:	AB2C2D5E22F27 (1)
Weight, g/mol:	635.02634
ΔH_f, kcal/mol:	-131.52
Dipole, Da:	2.96
IP(EA), eV:	-9.09(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-4-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-iodobenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OCC(=O)NC4=CC=CC=C4Cl)OC)/SC2=O

DOS

IR

Vibrations