Geometry & MOs

Info

ID:	426761
PubChem CID:	135153745
Reduced:	BrOS2F3N3H9C12 (1)
Stoich.:	ABC2D3E3F9G12 (1)
Weight, g/mol:	387.03711
ΔH_f, kcal/mol:	-125.55
Dipole, Da:	2.98
IP(EA), eV:	-9.57(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-4,6-dipyridin-3-ylpyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Br)NC(=O)C2=C(N=NS2)CSC(F)(F)F

DOS

IR

Vibrations