Geometry & MOs

Info

ID:	365724
PubChem CID:	127318449
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-145.97
Dipole, Da:	4.34
IP(EA), eV:	-9.32(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-oxabicyclo[2.2.1]heptan-2-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(C(=O)NC(=O)N1)C2=CC(=CC=C2)NC(=O)C3CC4CCC3O4

DOS

IR

Vibrations