Geometry & MOs

Info

ID:	154283
PubChem CID:	56313694
Reduced:	BrN4O4H21C22 (1)
Stoich.:	AB4C4D21E22 (1)
Weight, g/mol:	473.00449
ΔH_f, kcal/mol:	-75.87
Dipole, Da:	6.43
IP(EA), eV:	-9.28(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[(3-methylsulfonylbenzoyl)amino]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC(=C1)C(=O)NC2=NC=C(C=C2)Br)NC(=O)C3=CC=CO3

DOS

IR

Vibrations