Geometry & MOs

Info

ID:	217811
PubChem CID:	85088423
Reduced:	NO4C23H47 (1)
Stoich.:	AB4C23D47 (1)
Weight, g/mol:	401.107709
ΔH_f, kcal/mol:	-281.73
Dipole, Da:	4.76
IP(EA), eV:	-9.92(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methylpyridin-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(C(C(CO)NC(=O)CCCC)O)O

DOS

IR

Vibrations