Geometry & MOs

Info

ID:

433939

PubChem CID:

135174086

Reduced:

O4N8C39H44 (1)

Stoich.:

A4B8C39D44 (1)

Weight, g/mol:

524.253589

ΔHf, kcal/mol:

-43.79

Dipole, Da:

3.79

IP(EA), eV:

 -6.96(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(E)-amino-[(5Z)-3-(1H-indol-5-yl)-2-oxo-1-propan-2-yl-5-propylideneimidazolidin-4-ylidene]methyl]-N-(2-methyl-4-oxochromen-7-yl)ethanimidamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC3=C(N2C)CCN(C3)C(=O)OC(C)(C)C)C4=CC=C/C(=N\C5=C6C(=CC(=CN6)CN7CCCC7)C=CN5)/C4=O

DOS

IR

Vibrations