Geometry & MOs

Info

ID:	412059
PubChem CID:	135084922
Reduced:	NCl2O2C14H17 (2)
Stoich.:	AB2C2D14E17 (2)
Weight, g/mol:	925.29527
ΔH_f, kcal/mol:	-165.17
Dipole, Da:	8.87
IP(EA), eV:	-8.32(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cobalt;(3Z)-3-[[[(2S)-3-(1-methylimidazol-4-yl)-2-[[(Z)-[3-oxo-4-(2-phenylnaphthalen-1-yl)naphthalen-2-ylidene]methyl]amino]propyl]amino]methylidene]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-one

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

CC(COC1=CC(=C(/C(=C/N[C@@H]2[C@H](CCCC2)N/C=C/3\C(=O)C(=CC(=C3Cl)Cl)OCC(C)C)/C1=O)Cl)Cl)C

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

CC(COC1=CC(=C(/C(=C/N[C@@H]2[C@H](CCCC2)N/C=C/3\C(=O)C(=CC(=C3Cl)Cl)OCC(C)C)/C1=O)Cl)Cl)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):