Geometry & MOs

Info

ID:	392512
PubChem CID:	135016999
Reduced:	NO3H19C23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	447.109349
ΔH_f, kcal/mol:	16.99
Dipole, Da:	2.73
IP(EA), eV:	-8.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(ethylsulfanyl)methylidene]-5-(4-chlorophenyl)-5-(methylamino)-1-phenylpentane-1,3-dione

Drug info:

PubChemData

Smile

CO/N=C(\C=C\C1=CC=CC=C1)/C2=CC=CC=C2OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations