Geometry & MOs

Info

ID:

215420

PubChem CID:

85084707

Reduced:

O10N11C43H65 (1)

Stoich.:

A10B11C43D65 (1)

Weight, g/mol:

897.531052

ΔHf, kcal/mol:

-454.88

Dipole, Da:

10.27

IP(EA), eV:

 -8.99(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-6-[[2-[2-[2-[2-[[5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-6-oxocyclohexa-2,4-dien-1-ylidene]methylamino]ethylamino]ethylamino]ethylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CC3=CN=CN3)NC(=O)C(C(C)C)NC(=O)C

DOS

IR

Vibrations