Geometry & MOs

Info

ID:	390297
PubChem CID:	134998344
Reduced:	ClNH10C11 (3)
Stoich.:	ABC10D11 (3)
Weight, g/mol:	363.150199
ΔH_f, kcal/mol:	48.91
Dipole, Da:	2.56
IP(EA), eV:	-9.01(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-[(E)-3-oxo-1-phenyl-2-(2-trimethylsilylethylperoxy)but-1-enyl]propanamide

Drug info:

PubChemData

Smile

C1CCC2=CC(=C(C=C2C1)C3=NC(=NC(=N3)C4=C(C=C5CCCCC5=C4)Cl)C6=C(C=C7CCCCC7=C6)Cl)Cl

DOS

IR

Vibrations