Geometry & MOs

Info

ID:	11829
PubChem CID:	121632
Reduced:	ClO2S2N3C13H16 (1)
Stoich.:	AB2C2D3E13F16 (1)
Weight, g/mol:	345.037247
ΔH_f, kcal/mol:	14.27
Dipole, Da:	6.43
IP(EA), eV:	-9.11(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-nitrothiophen-2-yl)-4-(piperidin-1-ylmethyl)-1,3-thiazole;hydrochloride

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CSC(=N2)C3=CC=C(S3)[N+](=O)[O-].Cl

DOS

IR

Vibrations