Geometry & MOs

Info

ID:	350427
PubChem CID:	127277789
Reduced:	SN2O2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	-103.9
Dipole, Da:	6.22
IP(EA), eV:	-8.93(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-2-one

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)N2CCC(CC2)C

DOS

IR

Vibrations