Geometry & MOs

Info

ID:

180167

PubChem CID:

76587717

Reduced:

O3C14H28 (1)

Stoich.:

A3B14C28 (1)

Weight, g/mol:

1459.952198

ΔHf, kcal/mol:

-165.22

Dipole, Da:

3.39

IP(EA), eV:

-9.14(1.93)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide

Drug info:

PubChemData

Smile

CCC(C)(C)C1CC(C(C(O1)C)OC)(C)OC

DOS

IR

Vibrations