Geometry & MOs

Info

ID:	307408
PubChem CID:	125299824
Reduced:	FSO2N5H18C22 (1)
Stoich.:	ABC2D5E18F22 (1)
Weight, g/mol:	447.103497
ΔH_f, kcal/mol:	20.92
Dipole, Da:	7.34
IP(EA), eV:	-8.82(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylsulfamoyl)-N-[[(3S)-4-(4-methoxyphenyl)-5-sulfanylidene-3H-1,2,4-triazol-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)CS[C@@H]3N=NC(=O)C4=CC(=NN34)C5=CC=C(C=C5)F

DOS

IR

Vibrations