Geometry & MOs

Info

ID:	156174
PubChem CID:	56369405
Reduced:	BrSO2N3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	409.0305
ΔH_f, kcal/mol:	-5.89
Dipole, Da:	2.96
IP(EA), eV:	-8.41(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-chloropyridin-3-yl)-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)Br

DOS

IR

Vibrations