Geometry & MOs

Info

ID:	87835
PubChem CID:	49897836
Reduced:	SN2O2H26C29 (1)
Stoich.:	AB2C2D26E29 (1)
Weight, g/mol:	515.119129
ΔH_f, kcal/mol:	-9.96
Dipole, Da:	9.82
IP(EA), eV:	-8.47(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54)C)C

DOS

IR

Vibrations