Geometry & MOs

Info

ID:

436388

PubChem CID:

135199683

Reduced:

NH11C16 (2)

Stoich.:

AB11C16 (2)

Weight, g/mol:

929.447597

ΔHf, kcal/mol:

168.32

Dipole, Da:

3.85

IP(EA), eV:

 -8.18(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[6-[(3',6'-diamino-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]hexylcarbamoyl]cyclohexyl]-1-[2-(N,3-diethylanilino)-2-oxoethyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3N(C4=CC=CC=C42)C5=CC=CC=C5C#N)C6=CC=CC=C6

DOS

IR

Vibrations