Geometry & MOs

Info

ID:	46993
PubChem CID:	10528815
Reduced:	SCl3N3O3H14C20 (1)
Stoich.:	AB3C3D3E14F20 (1)
Weight, g/mol:	482.164872
ΔH_f, kcal/mol:	-69.19
Dipole, Da:	2.17
IP(EA), eV:	-9.35(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-1,2-diphenylethyl) 5-oxo-3,5-diphenylpentanoate

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C2=C1C=C(C=C2)Cl)C(=O)NN3C(SCC3=O)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations