Geometry & MOs

Info

ID:	86644
PubChem CID:	49888085
Reduced:	ClINSO3H11C17 (1)
Stoich.:	ABCDE3F11G17 (1)
Weight, g/mol:	513.020449
ΔH_f, kcal/mol:	-52.43
Dipole, Da:	2.75
IP(EA), eV:	-9.36(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)I)O)/SC2=O)Cl

DOS

IR

Vibrations