Geometry & MOs

Info

ID:	360392
PubChem CID:	127301037
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	356.14193
ΔH_f, kcal/mol:	-30.64
Dipole, Da:	3.66
IP(EA), eV:	-9.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzothiazol-2-yl(methyl)amino]-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NCC2=CC=C(C=C2)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations