Geometry & MOs

Info

ID:	87348
PubChem CID:	49894225
Reduced:	NSO5H19C24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	542.98098
ΔH_f, kcal/mol:	-117.61
Dipole, Da:	1.61
IP(EA), eV:	-9.02(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-6-methoxy-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4C(=O)OC)/SC2=O

DOS

IR

Vibrations