Geometry & MOs

Info

ID:	351176
PubChem CID:	127279734
Reduced:	O2N3S3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	357.118084
ΔH_f, kcal/mol:	-14.34
Dipole, Da:	5.81
IP(EA), eV:	-8.94(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethyl]piperidin-2-one

Drug info:

PubChemData

Smile

C1CSCCN1C(=O)C2CSCN2C(=O)CSC3=CC=C(C=C3)C#N

DOS

IR

Vibrations