Geometry & MOs

Info

ID:

309504

PubChem CID:

126546683

Reduced:

SN4C11H20 (1)

Stoich.:

AB4C11D20 (1)

Weight, g/mol:

689.33307

ΔHf, kcal/mol:

27.69

Dipole, Da:

3.42

IP(EA), eV:

-9.02(-0.71)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[[4-amino-6-[2-[[4-[2-[[4-(2-aminoethylamino)-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(C1=NC(=NC=N1)SCC)NC

DOS

IR

Vibrations