Geometry & MOs

Info

ID:	314839
PubChem CID:	126623602
Reduced:	N3O3H13C15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	392.95495
ΔH_f, kcal/mol:	-30.96
Dipole, Da:	2.86
IP(EA), eV:	-9.23(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromopyridin-2-yl)-1-(chloromethylsulfonyl)-3,6-dihydro-2H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=NC=C2)N=C1OC3=CC=CC=C3OC

DOS

IR

Vibrations