Geometry & MOs

Info

ID:	403078
PubChem CID:	135058621
Reduced:	ClO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	502.01981
ΔH_f, kcal/mol:	-60.22
Dipole, Da:	3.23
IP(EA), eV:	-9.68(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-bromo-1-(3-nitrophenyl)-3-oxo-3-phenylpropyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C1=C(C=C(C=C1)Cl)C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations