Geometry & MOs

Info

ID:	428000
PubChem CID:	135165665
Reduced:	S2O4N7H17C18 (1)
Stoich.:	A2B4C7D17E18 (1)
Weight, g/mol:	489.088909
ΔH_f, kcal/mol:	7.45
Dipole, Da:	2.97
IP(EA), eV:	-9.4(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-1-benzofuran-4-yl)-6-[(3S)-pyrrolidin-3-yl]sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN=C2)C(=C1)C3=C(C(=C(C=C3)S(=O)(=O)CCN)S(=O)(=O)N)C4=NNN=N4

DOS

IR

Vibrations