Geometry & MOs

Info

ID:

214938

PubChem CID:

85083889

Reduced:

N2O4C17H27 (2)

Stoich.:

A2B4C17D27 (2)

Weight, g/mol:

646.427865

ΔHf, kcal/mol:

-376.73

Dipole, Da:

8.12

IP(EA), eV:

 -9.0(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[3-[4-(aminomethyl)phenyl]-2-(2-aminopropanoylamino)propanoyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCC(C(CC1=CN=CN1C)COC(=O)C(C)(C)C)C(=O)OCCOC(=O)C(CC)C(CC2=CN=CN2C)COC(=O)C(C)(C)C

DOS

IR

Vibrations