Geometry & MOs

Info

ID:	156157
PubChem CID:	56369344
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	478.95176
ΔH_f, kcal/mol:	-62.9
Dipole, Da:	2.06
IP(EA), eV:	-8.93(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-chloropyridin-3-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1OCC(=O)NNC(=O)C2=NN(C(C2)C(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations