Geometry & MOs

Info

ID:	172263
PubChem CID:	75487001
Reduced:	BSN3O4C19H28 (1)
Stoich.:	ABC3D4E19F28 (1)
Weight, g/mol:	391.173708
ΔH_f, kcal/mol:	-203.04
Dipole, Da:	8.22
IP(EA), eV:	-9.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3=CC=C(C=C3)S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations