Geometry & MOs

Info

ID:	343408
PubChem CID:	127266581
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	343.0354
ΔH_f, kcal/mol:	-50.86
Dipole, Da:	4.51
IP(EA), eV:	-9.52(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-sulfanylidene-1H-pyridin-3-yl)-(4-ethyl-2-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)NNC(=O)C1CCCN1C(=O)C2=CN=CN2C3=CC=CC=C3

DOS

IR

Vibrations