Geometry & MOs

Info

ID:	43307
PubChem CID:	10321093
Reduced:	NO3C29H31 (1)
Stoich.:	AB3C29D31 (1)
Weight, g/mol:	441.063793
ΔH_f, kcal/mol:	-82.67
Dipole, Da:	4.13
IP(EA), eV:	-9.47(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloropyridin-2-yl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@](CC1=CC=CC=C1)(C(=O)O[C@@H]2CCCC[C@H]2C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations