Geometry & MOs

Info

ID:	155256
PubChem CID:	56324105
Reduced:	SO2N4C26H30 (1)
Stoich.:	AB2C4D26E30 (1)
Weight, g/mol:	479.08445
ΔH_f, kcal/mol:	-16.6
Dipole, Da:	10.02
IP(EA), eV:	-8.3(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C#N)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations