Geometry & MOs

Info

ID:	164147
PubChem CID:	74382093
Reduced:	ClOSF3N4C20H20 (1)
Stoich.:	ABCD3E4F20G20 (1)
Weight, g/mol:	417.11642
ΔH_f, kcal/mol:	-131.12
Dipole, Da:	4.93
IP(EA), eV:	-9.25(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-bromopyridin-3-yl)-[6-[3-(2-methylpropyl)piperazin-1-yl]pyridin-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NC(CC2=CC=CC=C2C(F)(F)F)CN)C3=C(C=NN3C)Cl

DOS

IR

Vibrations