Geometry & MOs

Info

ID:	64490
PubChem CID:	29201622
Reduced:	N2O5C26H26 (1)
Stoich.:	A2B5C26D26 (1)
Weight, g/mol:	468.03546
ΔH_f, kcal/mol:	-132.76
Dipole, Da:	5.48
IP(EA), eV:	-8.41(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2R)-1-(4-methoxyanilino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)OC(=O)C1=C2CCC/C(=C\C3=CC(=C(C=C3)OC)OC)/C2=NC4=CC=CC=C41

DOS

IR

Vibrations