Geometry & MOs

Info

ID:

215173

PubChem CID:

85084303

Reduced:

BSnC43H89 (1)

Stoich.:

ABC43D89 (1)

Weight, g/mol:

737.314431

ΔHf, kcal/mol:

-170.96

Dipole, Da:

0.6

IP(EA), eV:

 -8.8(0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[2-[2-[[2-[[2-[[2-amino-5-(2-hydroxyethylamino)-5-oxopentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]propanoylamino]acetyl]amino]-2-(5-fluoro-2,4-dioxo-1,3-diazinan-1-yl)acetate

Drug info:

PubChemData

Smile

B(CCCCCCC)(CCCCCCC)C(=C(CCCCCCCC)[Sn](CCCC)(CCCC)CCCC)CCCCCCC

DOS

IR

Vibrations