Geometry & MOs

Info

ID:	428001
PubChem CID:	135165666
Reduced:	S2O5N7C19H19 (1)
Stoich.:	A2B5C7D19E19 (1)
Weight, g/mol:	457.93279
ΔH_f, kcal/mol:	-27.54
Dipole, Da:	7.71
IP(EA), eV:	-8.68(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-aminoethylsulfonyl)-3-iodo-2-(2H-tetrazol-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CNC[C@H]1S(=O)(=O)C2=C(C(=C(C=C2)C3=C4C=C(OC4=CC=C3)N)C5=NNN=N5)S(=O)(=O)N

DOS

IR

Vibrations