Geometry & MOs

Info

ID:	188550
PubChem CID:	77732003
Reduced:	NCl2O3H19C27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	482.08221
ΔH_f, kcal/mol:	-4.56
Dipole, Da:	3.42
IP(EA), eV:	-8.78(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C#CCC3=CC=C(C=C3)OC)C(=O)C(=CC4=CC(=C(C=C4)Cl)Cl)C1=O

DOS

IR

Vibrations