Geometry & MOs

Info

ID:	87929
PubChem CID:	49898693
Reduced:	SN2O2H20C25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	593.02964
ΔH_f, kcal/mol:	0.12
Dipole, Da:	5.93
IP(EA), eV:	-8.64(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations