Geometry & MOs

Info

ID:	243554
PubChem CID:	99226758
Reduced:	OSN2F4H14C16 (1)
Stoich.:	ABC2D4E14F16 (1)
Weight, g/mol:	419.060963
ΔH_f, kcal/mol:	-200.84
Dipole, Da:	5.47
IP(EA), eV:	-9.38(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-methylsulfonyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=CN=C(S2)C3=CC=CC=C3F)C(F)(F)F

DOS

IR

Vibrations