Geometry & MOs

Info

ID:	350504
PubChem CID:	127277866
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	-80.7
Dipole, Da:	3.06
IP(EA), eV:	-9.01(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NCC(C2=CC=C(C=C2)C)N3CCCC3

DOS

IR

Vibrations