Geometry & MOs

Info

ID:	270942
PubChem CID:	103638876
Reduced:	ClFN2O2H6C10 (1)
Stoich.:	ABC2D2E6F10 (1)
Weight, g/mol:	266.060425
ΔH_f, kcal/mol:	-53.18
Dipole, Da:	4.4
IP(EA), eV:	-9.39(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

C1=CC(=NC=C1F)NC(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations