Geometry & MOs

Info

ID:

173149

PubChem CID:

75604074

Reduced:

NO3H13C16 (1)

Stoich.:

AB3C13D16 (1)

Weight, g/mol:

1418.2974

ΔHf, kcal/mol:

47.24

Dipole, Da:

1.98

IP(EA), eV:

 -9.34(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

trisodium;2-[[4-[(2-amino-4-oxo-4aH-pteridin-6-yl)methylamino]benzoyl]amino]-5-[2-[2-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethylamino]-5-oxopentanoate;2-[[1,4-dihydroxy-2-(methanidyloxymethyl)butan-2-yl]amino]acetate;4-diphenylphosphanylbenzenesulfonate;technetium

Drug info:

PubChemData

Smile

COC1C(N(C1=O)CC#CC#CC2=CC=CC=C2)C=O

DOS

IR

Vibrations