Geometry & MOs

Info

ID:	242972
PubChem CID:	99214653
Reduced:	ON3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	429.02589
ΔH_f, kcal/mol:	13.68
Dipole, Da:	3.4
IP(EA), eV:	-9.07(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromopyridin-2-yl)sulfanyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(N=C1C(=O)NCCNC2=NC=CN=C2)CC3=CC=CC=C3

DOS

IR

Vibrations