Geometry & MOs

Info

ID:

191827

PubChem CID:

78191747

Reduced:

O7N21C41H81 (1)

Stoich.:

A7B21C41D81 (1)

Weight, g/mol:

1027.69917

ΔHf, kcal/mol:

-284.15

Dipole, Da:

8.39

IP(EA), eV:

 -8.4(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-(1-benzylpiperidin-4-yl)amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCN(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

DOS

IR

Vibrations