Geometry & MOs

Info

ID:	319967
PubChem CID:	126657704
Reduced:	BrSO2N3C16H20 (1)
Stoich.:	ABC2D3E16F20 (1)
Weight, g/mol:	314.071212
ΔH_f, kcal/mol:	45.41
Dipole, Da:	7.76
IP(EA), eV:	-7.08(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-2-fluoropyridin-3-yl)-2,2,2-trifluoroethanesulfonamide

Drug info:

PubChemData

Smile

CS(C)(C)CCOCN1C=CN=C1C2=NC3=C(O2)C=C(C=C3)Br

DOS

IR

Vibrations