Geometry & MOs

Info

ID:

427993

PubChem CID:

135165658

Reduced:

IS2N6O9C31H37 (1)

Stoich.:

AB2C6D9E31F37 (1)

Weight, g/mol:

479.050416

ΔHf, kcal/mol:

-212.9

Dipole, Da:

5.82

IP(EA), eV:

 -8.44(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(2-aminoethylsulfonyl)-3-(2-methyl-1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H](CO)S(=O)(=O)C1=C(C(=C(C=C1)I)C2=NNN=N2)S(=O)(=O)N(CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations