Geometry & MOs

Info

ID:

191250

PubChem CID:

78123500

Reduced:

N3O5C34H35 (1)

Stoich.:

A3B5C34D35 (1)

Weight, g/mol:

1093.767249

ΔHf, kcal/mol:

-119.88

Dipole, Da:

11.23

IP(EA), eV:

 -8.58(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[1-[[1-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)C(=O)NC3(CCC3)C(=O)NC4=CC=C(C=C4)C=CC(=O)O)C(=C1C5=COC=C5)C6CCCCC6

DOS

IR

Vibrations