Geometry & MOs

Info

ID:	155885
PubChem CID:	56368123
Reduced:	ClSN4O4C21H23 (1)
Stoich.:	ABC4D4E21F23 (1)
Weight, g/mol:	421.01927
ΔH_f, kcal/mol:	-102.32
Dipole, Da:	10.3
IP(EA), eV:	-9.03(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3C=CN=C3)Cl)OC

DOS

IR

Vibrations