Geometry & MOs

Info

ID:

448213

PubChem CID:

135289293

Reduced:

FON7C34H34 (1)

Stoich.:

ABC7D34E34 (1)

Weight, g/mol:

654.254851

ΔHf, kcal/mol:

96.24

Dipole, Da:

8.19

IP(EA), eV:

 -8.39(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[(5-fluoro-1-methoxy-1,4-dioxopentan-3-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OCCN7CCCC7

DOS

IR

Vibrations