Geometry & MOs

Info

ID:	379469
PubChem CID:	134434291
Reduced:	FO2S2N3H10C13 (1)
Stoich.:	AB2C2D3E10F13 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-43.6
Dipole, Da:	4.52
IP(EA), eV:	-9.46(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[3-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-4-yl]amino]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CN=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F

DOS

IR

Vibrations