Geometry & MOs

Info

ID:	86657
PubChem CID:	49888302
Reduced:	ClINSO3H9C15 (1)
Stoich.:	ABCDE3F9G15 (1)
Weight, g/mol:	453.043771
ΔH_f, kcal/mol:	-37.27
Dipole, Da:	1.96
IP(EA), eV:	-9.21(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[5-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(O3)I)/SC2=O)Cl

DOS

IR

Vibrations