Geometry & MOs

Info

ID:	87826
PubChem CID:	49897759
Reduced:	ClNSO5H20C29 (1)
Stoich.:	ABCD5E20F29 (1)
Weight, g/mol:	517.075072
ΔH_f, kcal/mol:	-88.19
Dipole, Da:	5.59
IP(EA), eV:	-8.81(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-chloro-5-[5-[(Z)-[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC(=O)C2=CC=CC=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations