Geometry & MOs

Info

ID:	375781
PubChem CID:	134221771
Reduced:	SN2O5C24H28 (1)
Stoich.:	AB2C5D24E28 (1)
Weight, g/mol:	442.156243
ΔH_f, kcal/mol:	-193.61
Dipole, Da:	2.36
IP(EA), eV:	-8.87(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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