Geometry & MOs

Info

ID:	356175
PubChem CID:	127291211
Reduced:	SN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	381.208613
ΔH_f, kcal/mol:	-136.41
Dipole, Da:	3.57
IP(EA), eV:	-8.88(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCN(CC2)C(=O)C3CSCN3C(=O)C4CCC4

DOS

IR

Vibrations