Geometry & MOs

Info

ID:	87991
PubChem CID:	49899434
Reduced:	SCl2N2O2H16C21 (1)
Stoich.:	AB2C2D2E16F21 (1)
Weight, g/mol:	528.091056
ΔH_f, kcal/mol:	-26.69
Dipole, Da:	7.51
IP(EA), eV:	-8.68(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-4-[(Z)-[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations