Geometry & MOs

Info

ID:	376094
PubChem CID:	134222097
Reduced:	SN2O5H26C27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-126.89
Dipole, Da:	4.21
IP(EA), eV:	-8.82(-1.0)
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 acetate

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)C(=O)COC2=CC=C(C=C2)C[C@]3(CNC(=O)S3)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations