Geometry & MOs

Info

ID:

191828

PubChem CID:

78191748

Reduced:

O6N21C46H85 (1)

Stoich.:

A6B21C46D85 (1)

Weight, g/mol:

912.620585

ΔHf, kcal/mol:

-189.68

Dipole, Da:

11.06

IP(EA), eV:

 -8.76(-0.46)

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-hydroxypropyl)amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

C1CN(CCC1N(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)CC2=CC=CC=C2

DOS

IR

Vibrations