Geometry & MOs

Info

ID:	403818
PubChem CID:	135062055
Reduced:	ClO5H15C19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	395.082744
ΔH_f, kcal/mol:	-137.54
Dipole, Da:	4.86
IP(EA), eV:	-9.26(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(4-nitrophenyl)sulfonyl-1,3-diphenylpropan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=O)O[C@]2(C3=CC(=CC=C3)Cl)C(=O)OC

DOS

IR

Vibrations