Geometry & MOs

Info

ID:	87452
PubChem CID:	49894684
Reduced:	NSO5H21C22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	459.114044
ΔH_f, kcal/mol:	-154.93
Dipole, Da:	3.68
IP(EA), eV:	-8.93(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3C)OC(=O)C

DOS

IR

Vibrations