Geometry & MOs

Info

ID:	245399
PubChem CID:	99444312
Reduced:	O2N6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	481.06709
ΔH_f, kcal/mol:	43.36
Dipole, Da:	5.11
IP(EA), eV:	-8.54(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2R)-3-methyl-1-[[4-(methylsulfamoyl)phenyl]methylamino]-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC=CC(=C2)CNC(=O)C3=NN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations