Geometry & MOs

Info

ID:	350485
PubChem CID:	127277847
Reduced:	SO2N3C16H29 (1)
Stoich.:	AB2C3D16E29 (1)
Weight, g/mol:	392.176979
ΔH_f, kcal/mol:	-117.12
Dipole, Da:	1.78
IP(EA), eV:	-8.57(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylbenzoyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NCC(C)CN2CCCCC2

DOS

IR

Vibrations