Geometry & MOs

Info

ID:	78805
PubChem CID:	49732804
Reduced:	N2S2O5C22H24 (1)
Stoich.:	A2B2C5D22E24 (1)
Weight, g/mol:	494.114556
ΔH_f, kcal/mol:	-147.31
Dipole, Da:	6.65
IP(EA), eV:	-8.73(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4,6-difluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)OC3CCN(CC3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations