Geometry & MOs

Info

ID:	171065
PubChem CID:	75321390
Reduced:	INSO4H26C31 (1)
Stoich.:	ABCD4E26F31 (1)
Weight, g/mol:	463.064507
ΔH_f, kcal/mol:	-44.71
Dipole, Da:	3.67
IP(EA), eV:	-8.91(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3C)I)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations