Geometry & MOs

Info

ID:

191829

PubChem CID:

78191749

Reduced:

O7N20C37H76 (1)

Stoich.:

A7B20C37D76 (1)

Weight, g/mol:

976.631898

ΔHf, kcal/mol:

-282.29

Dipole, Da:

8.37

IP(EA), eV:

 -8.73(0.08)

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]-[2-(4-fluorophenyl)ethyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

C(CCCNCC(=O)N(CCCN=C(N)N)CC(=O)N(CCCN=C(N)N)CC(=O)N(CCCO)CC(=O)N(CCCN=C(N)N)CC(=O)NC(CCCN=C(N)N)C(=O)N)CCN

DOS

IR

Vibrations