Geometry & MOs

Info

ID:

17102

PubChem CID:

484263

Reduced:

FO6N20C42H77 (1)

Stoich.:

AB6C20D42E77 (1)

Weight, g/mol:

976.631898

ΔHf, kcal/mol:

-269.21

Dipole, Da:

8.5

IP(EA), eV:

 -9.0(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[2-(4-fluorophenyl)ethyl]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)N[C@H](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