Geometry & MOs

Info

ID:

412012

PubChem CID:

135084875

Reduced:

CrN2O2C36H54 (1)

Stoich.:

AB2C2D36E54 (1)

Weight, g/mol:

907.28447

ΔHf, kcal/mol:

59.9

Dipole, Da:

2.23

IP(EA), eV:

 -6.27(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

manganese;(3Z)-3-[[[(2R)-2-(1-methylimidazol-4-yl)-2-[[(Z)-[3-oxo-4-(2-phenylnaphthalen-1-yl)naphthalen-2-ylidene]methyl]amino]ethyl]amino]methylidene]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-one

Drug info:

PubChemData

Smile

CC(C1=C/C(=C/N[C@H]2[C@@H](CCCC2)N/C=C/3\C(=O)C(=CC(=C3)C(C)(C)C)C(C)(C)C)/C(=O)C(=C1)C(C)(C)C)(C)C.[Cr+3]

DOS

IR

Vibrations