Geometry & MOs

Info

ID:

412553

PubChem CID:

135085449

Reduced:

O2N3C35H47 (1)

Stoich.:

A2B3C35D47 (1)

Weight, g/mol:

923.36921

ΔHf, kcal/mol:

-50.57

Dipole, Da:

7.72

IP(EA), eV:

 -7.79(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

carbanide;(3Z)-3-[[[(1R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylamino]cyclohexyl]amino]methylidene]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-one;methanol;titanium

Drug info:

PubChemData

Smile

CCC1CN2CCC1CC2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)N/C=C/5\C=C(C=C(C5=O)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations