Geometry & MOs

Info

ID:	408543
PubChem CID:	135081309
Reduced:	CoSCl2N2C28H30 (1)
Stoich.:	ABC2D2E28F30 (1)
Weight, g/mol:	426.21297
ΔH_f, kcal/mol:	128.63
Dipole, Da:	23.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.430534
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(1-benzothiophen-2-yl)pyridin-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propan-1-imine

Drug info:

PubChemData

Smile

CCC(=NC1=C(C=CC=C1C(C)C)C(C)C)C2=CC=CC(=N2)C3=CC4=CC=CC=C4S3.Cl[Co]Cl

DOS

IR

Vibrations