Geometry & MOs

Info

ID:	154495
PubChem CID:	56313947
Reduced:	BrN4O5H15C20 (1)
Stoich.:	AB4C5D15E20 (1)
Weight, g/mol:	485.04088
ΔH_f, kcal/mol:	-28.7
Dipole, Da:	7.57
IP(EA), eV:	-9.26(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)COC2=CC=CC(=C2)[N+](=O)[O-])C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations