Geometry & MOs

Info

ID:	375789
PubChem CID:	134221779
Reduced:	SN2O5C24H28 (1)
Stoich.:	AB2C5D24E28 (1)
Weight, g/mol:	476.140593
ΔH_f, kcal/mol:	-192.29
Dipole, Da:	5.41
IP(EA), eV:	-8.85(-0.81)
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 benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations