Geometry & MOs

Info

ID:	396855
PubChem CID:	135029349
Reduced:	SN2O4H56C58 (1)
Stoich.:	AB2C4D56E58 (1)
Weight, g/mol:	198.982027
ΔH_f, kcal/mol:	53.44
Dipole, Da:	3.85
IP(EA), eV:	-8.43(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

copper;(Z)-1-phenylethene-1,2-diol

Drug info:

PubChemData

Smile

C1[C@H](N(CC2=CC=CC=C2OCC3=CC(=CC=C3)COC4=CC=CC=C4CN([C@@H](COCC5=CC=C(S5)CO1)C6=CC=CC=C6)CC7=CC=CC=C7)CC8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations