Geometry & MOs

Info

ID:	406011
PubChem CID:	135076270
Reduced:	NOF2H6C9 (2)
Stoich.:	ABC2D6E9 (2)
Weight, g/mol:	446.077028
ΔH_f, kcal/mol:	-146.5
Dipole, Da:	7.42
IP(EA), eV:	-9.82(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[1,3-benzothiazol-2-ylsulfonyl(fluoro)methyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1(C(=O)NC2=C(C(=C(C(=C2F)F)C#N)F)F)OCC3=CC=CC=C3

DOS

IR

Vibrations