Geometry & MOs

Info

ID:	53542
PubChem CID:	14716555
Reduced:	SN3C16H16 (2)
Stoich.:	AB3C16D16 (2)
Weight, g/mol:	594.138158
ΔH_f, kcal/mol:	169.83
Dipole, Da:	5.81
IP(EA), eV:	-8.25(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-N-(morpholine-4-carbothioyl)-C-phenylcarbonimidoyl]-[3-[(E)-N-(morpholine-4-carbothioyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide;nickel(2+)

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN(C1=CC=CC=C1)C(=S)NC(=NCCN=C(C2=CC=CC=C2)NC(=S)N(C)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN(C1=CC=CC=C1)C(=S)NC(=NCCN=C(C2=CC=CC=C2)NC(=S)N(C)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):