Geometry & MOs

Info

ID:	411746
PubChem CID:	135084580
Reduced:	PI4O5H25C31 (1)
Stoich.:	AB4C5D25E31 (1)
Weight, g/mol:	1789.663524
ΔH_f, kcal/mol:	-99.29
Dipole, Da:	3.32
IP(EA), eV:	-8.09(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylamino]cyclohexyl]amino]methylidene]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-one;titanium;dihydrate

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

CC1(O[C@@H]2[C@@H](O1)C(OP(=O)OC2(C3=CC=CC=C3I)C4=CC=CC=C4I)(C5=CC=CC=C5I)C6=CC=CC=C6I)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

CC1(O[C@@H]2[C@@H](O1)C(OP(=O)OC2(C3=CC=CC=C3I)C4=CC=CC=C4I)(C5=CC=CC=C5I)C6=CC=CC=C6I)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):