Geometry & MOs

Info

ID:	356413
PubChem CID:	127291486
Reduced:	SN3O3C19H31 (1)
Stoich.:	AB3C3D19E31 (1)
Weight, g/mol:	353.213698
ΔH_f, kcal/mol:	-136.63
Dipole, Da:	5.67
IP(EA), eV:	-9.42(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CSCC1C(=O)N2CCCC(C2)C(=O)NCC3CC3

DOS

IR

Vibrations