Geometry & MOs

Info

ID:

191830

PubChem CID:

78191750

Reduced:

FO6N20C42H77 (1)

Stoich.:

AB6C20D42E77 (1)

Weight, g/mol:

1075.682571

ΔHf, kcal/mol:

-257.32

Dipole, Da:

10.83

IP(EA), eV:

 -8.82(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCN(CC(=O)N(CCCN=C(N)N)CC(=O)NC(CCCN=C(N)N)C(=O)N)C(=O)CN(CCCN=C(N)N)C(=O)CN(CCCN=C(N)N)C(=O)CNCCCCCCN)F

DOS

IR

Vibrations