Geometry & MOs

Info

ID:	52317
PubChem CID:	12015144
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	361.15191
ΔH_f, kcal/mol:	-3.81
Dipole, Da:	10.13
IP(EA), eV:	-8.54(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyrrole

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(O1)/C=C\2/C(=NOC2=O)C3=CC=CC=C3

DOS

IR

Vibrations