Geometry & MOs

Info

ID:	292018
PubChem CID:	114137373
Reduced:	BrSN4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	300.106312
ΔH_f, kcal/mol:	74.86
Dipole, Da:	1.87
IP(EA), eV:	-8.66(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3-cyclopentylpropyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC2=NC(=CN3C2=NC=C3)Br

DOS

IR

Vibrations