Geometry & MOs

Info

ID:	326925
PubChem CID:	126688690
Reduced:	ClSO5N7C19H26 (1)
Stoich.:	ABC5D7E19F26 (1)
Weight, g/mol:	300.022547
ΔH_f, kcal/mol:	-134.18
Dipole, Da:	5.99
IP(EA), eV:	-8.38(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[amino-(2-fluoro-2-methylpropyl)sulfanylmethylidene]azanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)N[C@@H]3COC4C3OC[C@@H]4NS(=O)(=O)CC5CCCO5)Cl

DOS

IR

Vibrations