Geometry & MOs

Info

ID:	124119
PubChem CID:	50872814
Reduced:	NSO3H17C23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	466.047087
ΔH_f, kcal/mol:	-20.33
Dipole, Da:	4.23
IP(EA), eV:	-9.1(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(E)-[3-(4-nitrophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C/3\C(=O)N(C(=O)S3)C4=CC=CC=C4

DOS

IR

Vibrations