Geometry & MOs

Info

ID:	356173
PubChem CID:	127291209
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	395.224263
ΔH_f, kcal/mol:	-149.98
Dipole, Da:	9.0
IP(EA), eV:	-8.76(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CSCC2C(=O)N3CCC(CC3)C(=O)N4CCCC4

DOS

IR

Vibrations