Geometry & MOs

Info

ID:	376087
PubChem CID:	134222090
Reduced:	SN2O5C24H28 (1)
Stoich.:	AB2C5D24E28 (1)
Weight, g/mol:	506.187543
ΔH_f, kcal/mol:	-191.45
Dipole, Da:	4.3
IP(EA), eV:	-8.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-[(3Z,5E)-5-[2-(5-ethylpyridin-2-yl)ethoxy]octa-3,5,7-trienyl]-2,4-dioxo-1,3-thiazolidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(=O)OC(C)C1=CN=C(C=C1)CCOC2=CC=C(C=C2)C[C@H]3C(=O)NC(=O)S3

DOS

IR

Vibrations