Geometry & MOs

Info

ID:	365247
PubChem CID:	127317592
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	385.149384
ΔH_f, kcal/mol:	-99.41
Dipole, Da:	5.64
IP(EA), eV:	-8.27(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)C3=C(C4=C(CC(O4)(C)C)C=C3)O

DOS

IR

Vibrations