Geometry & MOs

Info

ID:	376097
PubChem CID:	134222100
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	442.156243
ΔH_f, kcal/mol:	-109.22
Dipole, Da:	3.4
IP(EA), eV:	-8.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2C(=O)NC(=O)S2)OCCC3=NC=C(C=C3)CC=O

DOS

IR

Vibrations