Geometry & MOs

Info

ID:	412403
PubChem CID:	135085294
Reduced:	PdN2O3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	464.12912
ΔH_f, kcal/mol:	-13.63
Dipole, Da:	13.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.890903
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]-6-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]cyclohexylidene]palladium

Drug info:

PubChemData

Smile

CC(C)(C)/[N+](=C/C1CCCC(C1=[Pd])C(=O)[N-]C(CC2=CC=CC=C2)CO)/[O-]

DOS

IR

Vibrations