Geometry & MOs

Info

ID:	404079
PubChem CID:	135064850
Reduced:	ClSO3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	533.06603
ΔH_f, kcal/mol:	-89.66
Dipole, Da:	5.0
IP(EA), eV:	-9.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S)-1-(2-bromophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations