Geometry & MOs

Info

ID:

298137

PubChem CID:

117647689

Reduced:

N11C35H43 (1)

Stoich.:

A11B35C43 (1)

Weight, g/mol:

653.351447

ΔHf, kcal/mol:

218.03

Dipole, Da:

5.08

IP(EA), eV:

 -8.58(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[2-[3-[2-[5-[2-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]ethynyl]-2,4-difluorophenyl]ethynyl]-5-[2-(diaminomethylideneamino)ethyl]phenyl]ethyl]ethanimidamide

Drug info:

PubChemData

Smile

C=C(N)NCCC1=CC(=CC(=C1)C#CC2=CC(=CC=C2)C#CC3=CC(=CC(=C3)CCN=C(N)N)CCN=C(N)N)CCN=C(N)N

DOS

IR

Vibrations