Geometry & MOs

Info

ID:	422857
PubChem CID:	135118523
Reduced:	F3O4N6C33H39 (1)
Stoich.:	A3B4C6D33E39 (1)
Weight, g/mol:	339.151767
ΔH_f, kcal/mol:	-297.26
Dipole, Da:	6.45
IP(EA), eV:	-8.65(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)C5=CN=C(C=C5)C(F)(F)F)C(C)C

DOS

IR

Vibrations