Geometry & MOs

Info

ID:	300241
PubChem CID:	121269915
Reduced:	NSF3O4H8C15 (1)
Stoich.:	ABC3D4E8F15 (1)
Weight, g/mol:	289.042274
ΔH_f, kcal/mol:	-207.29
Dipole, Da:	3.81
IP(EA), eV:	-10.4(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(1,2,4-triazol-1-yl)-2-(trifluoromethoxy)pyridin-3-yl] carbamate

Drug info:

PubChemData

Smile

C1=CC2=C(C(C(S2(=O)=O)F)O)C(=C1OC3=CC(=CC(=C3)F)F)C#N

DOS

IR

Vibrations