Geometry & MOs

Info

ID:	88358
PubChem CID:	49903041
Reduced:	NSO3H21C28 (1)
Stoich.:	ABC3D21E28 (1)
Weight, g/mol:	463.064507
ΔH_f, kcal/mol:	-12.85
Dipole, Da:	4.12
IP(EA), eV:	-8.84(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations