Geometry & MOs

Info

ID:	178094
PubChem CID:	76276452
Reduced:	SN2O2C12H13 (2)
Stoich.:	AB2C2D12E13 (2)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	-99.28
Dipole, Da:	9.25
IP(EA), eV:	-8.72(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzoyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1N2CCC3=C(C2)C=CS3)NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations