Geometry & MOs

Info

ID:	364693
PubChem CID:	127315988
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	327.198048
ΔH_f, kcal/mol:	-134.66
Dipole, Da:	4.99
IP(EA), eV:	-8.64(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCCN1CCNC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

DOS

IR

Vibrations