Geometry & MOs

Info

ID:	155905
PubChem CID:	56368242
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	455.03031
ΔH_f, kcal/mol:	-66.97
Dipole, Da:	4.19
IP(EA), eV:	-8.59(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-oxo-2-[3-(pyridin-2-ylsulfanylmethyl)anilino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1)CNC(=O)C2=C(C=CC(=C2)CC3=CC=CC=C3)O

DOS

IR

Vibrations