Geometry & MOs

Info

ID:	390647
PubChem CID:	135000139
Reduced:	Br2S3N4O4H40C48 (1)
Stoich.:	A2B3C4D4E40F48 (1)
Weight, g/mol:	288.151415
ΔH_f, kcal/mol:	90.78
Dipole, Da:	6.84
IP(EA), eV:	-8.41(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-naphthalen-1-yl-3-phenylpentan-1-one

Drug info:

PubChemData

Smile

CS(C)(C1=C(N=C(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=CC=C4)OS(=O)(=O)OS(C)(C)C5=C(N=C(N=C5C6=CC=C(C=C6)Br)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations