Geometry & MOs

Info

ID:

191826

PubChem CID:

78191746

Reduced:

O6N20C41H82 (1)

Stoich.:

A6B20C41D82 (1)

Weight, g/mol:

979.662784

ΔHf, kcal/mol:

-264.91

Dipole, Da:

6.45

IP(EA), eV:

 -9.08(0.25)

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]-[3-(2-oxopyrrolidin-1-yl)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CN(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