Geometry & MOs

Info

ID:	87508
PubChem CID:	49895118
Reduced:	NSO2H19C24 (1)
Stoich.:	ABC2D19E24 (1)
Weight, g/mol:	557.02964
ΔH_f, kcal/mol:	-2.38
Dipole, Da:	2.59
IP(EA), eV:	-9.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)C4=CC=CC=C4)/SC2=O

DOS

IR

Vibrations