Geometry & MOs

Info

ID:	375780
PubChem CID:	134221770
Reduced:	SN2O5C25H32 (1)
Stoich.:	AB2C5D25E32 (1)
Weight, g/mol:	456.171893
ΔH_f, kcal/mol:	-194.88
Dipole, Da:	2.72
IP(EA), eV:	-8.92(-0.38)
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 3-methylbutanoate

Drug info:

PubChemData

Smile

CCCCC(=O)OC(C)C1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC(C(=O)NC=O)SC

DOS

IR

Vibrations