Geometry & MOs

Info

ID:	46494
PubChem CID:	10524717
Reduced:	BrSN2O3H15C16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	395.086583
ΔH_f, kcal/mol:	-51.65
Dipole, Da:	7.64
IP(EA), eV:	-9.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-4,6-bis(2-nitropyridin-3-yl)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1C(CNC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Br

DOS

IR

Vibrations