Geometry & MOs

Info

ID:	376096
PubChem CID:	134222099
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	370.098728
ΔH_f, kcal/mol:	-181.98
Dipole, Da:	2.69
IP(EA), eV:	-8.95(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]pyridin-3-yl]acetaldehyde

Drug info:

PubChemData

Smile

CCCC(=O)OCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC(C(=O)NC=O)SC

DOS

IR

Vibrations