Geometry & MOs

Info

ID:	426572
PubChem CID:	135149825
Reduced:	S2O4N8C17H20 (1)
Stoich.:	A2B4C8D17E20 (1)
Weight, g/mol:	476.068508
ΔH_f, kcal/mol:	5.38
Dipole, Da:	6.74
IP(EA), eV:	-9.55(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-1,3-benzoxazol-6-yl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCN2C(=C(C=N2)C3=C(C(=C(C=C3)S(=O)(=O)C4CNC4)S(=O)(=O)N)C5=NNN=N5)C1

DOS

IR

Vibrations