Geometry & MOs

Info

ID:	73526
PubChem CID:	48418056
Reduced:	FSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	406.157581
ΔH_f, kcal/mol:	-67.44
Dipole, Da:	2.99
IP(EA), eV:	-8.67(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1-ethylbenzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCN(CC1)C2=NC3=CC=CC=C3S2)OC4=CC=C(C=C4)F

DOS

IR

Vibrations