Geometry & MOs

Info

ID:	269308
PubChem CID:	103616943
Reduced:	BrNS2F3O3C10H11 (1)
Stoich.:	ABC2D3E3F10G11 (1)
Weight, g/mol:	283.999796
ΔH_f, kcal/mol:	-252.65
Dipole, Da:	6.84
IP(EA), eV:	-9.76(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NCCSC(F)(F)F)Br

DOS

IR

Vibrations