Geometry & MOs

Info

ID:

298132

PubChem CID:

117647675

Reduced:

SO4N7C39H49 (1)

Stoich.:

AB4C7D39E49 (1)

Weight, g/mol:

1025.549394

ΔHf, kcal/mol:

-62.98

Dipole, Da:

8.71

IP(EA), eV:

 -8.48(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[3-[2,3-bis[3-(diaminomethylideneamino)propoxy]-5-[8-[3,4,5-tris[3-(diaminomethylideneamino)propoxy]phenyl]dibenzothiophen-2-yl]phenoxy]propyl]ethanimidamide

Drug info:

PubChemData

Smile

CC(=NCCCOC1=CC(=CC(=C1)C2=CC3=C(C=C2)SC4=C3C=C(C=C4)C5=CC(=CC(=C5)OCCCN)OCCCN)OCCCN=C(N)N)N

DOS

IR

Vibrations