Geometry & MOs

Info

ID:	431200
PubChem CID:	135171270
Reduced:	S2F3N4O5H17C20 (1)
Stoich.:	A2B3C4D5E17F20 (1)
Weight, g/mol:	390.113745
ΔH_f, kcal/mol:	-256.06
Dipole, Da:	4.84
IP(EA), eV:	-8.14(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-aminocyclohexyl)-(2,2,2-trifluoroethyl)carbamoyl]pyrrolo[3,2-b]pyridin-1-yl] thiohypofluorite

Drug info:

PubChemData

Smile

CN1C2=C(C=CS2)C(=C(C1=O)C3=NC4=C(N3)C=C(C=C4)N5CCOCC5)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations