Geometry & MOs

Info

ID:	317605
PubChem CID:	126644317
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	417.115855
ΔH_f, kcal/mol:	-105.05
Dipole, Da:	2.7
IP(EA), eV:	-9.2(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]anilino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

C1CC2([C@@H]([C@H]1N)OCC3=CC=CC=C3)OCCO2

DOS

IR

Vibrations