Geometry & MOs

Info

ID:	172262
PubChem CID:	75486650
Reduced:	BClNO5C17H19 (1)
Stoich.:	ABCD5E17F19 (1)
Weight, g/mol:	405.189358
ΔH_f, kcal/mol:	-268.02
Dipole, Da:	11.26
IP(EA), eV:	-8.81(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-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=CC(=CC3=C2NC(=CC3=O)C(=O)OC)Cl

DOS

IR

Vibrations