Geometry & MOs

Info

ID:	145595
PubChem CID:	53552167
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	346.089975
ΔH_f, kcal/mol:	-104.37
Dipole, Da:	2.51
IP(EA), eV:	-8.64(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NC2=CC=CC=C2N3CCOCC3

DOS

IR

Vibrations