Geometry & MOs

Info

ID:	289046
PubChem CID:	104332535
Reduced:	FSN3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	314.08489
ΔH_f, kcal/mol:	-13.02
Dipole, Da:	3.69
IP(EA), eV:	-9.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C2=NN=C(S2)CCCNC(C)(C)C

DOS

IR

Vibrations