Geometry & MOs

Info

ID:	407026
PubChem CID:	135079157
Reduced:	BrNF3O4H7C10 (1)
Stoich.:	ABC3D4E7F10 (1)
Weight, g/mol:	272.028935
ΔH_f, kcal/mol:	-226.07
Dipole, Da:	4.28
IP(EA), eV:	-10.95(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[amino(2-phenylethynylsulfanyl)methylidene]azanium;methanesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC(=C1)C(F)(F)F)[N+](=O)[O-])Br

DOS

IR

Vibrations