Geometry & MOs

Info

ID:	157217
PubChem CID:	56422409
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	421.112999
ΔH_f, kcal/mol:	-74.92
Dipole, Da:	4.99
IP(EA), eV:	-9.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2OCCO2)C(=O)C3=CSC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations