Geometry & MOs

Info

ID:	171559
PubChem CID:	75394196
Reduced:	SO2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	412.106608
ΔH_f, kcal/mol:	23.42
Dipole, Da:	4.2
IP(EA), eV:	-9.51(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=NN2CC3=CN=CC=C3

DOS

IR

Vibrations