Geometry & MOs

Info

ID:

316820

PubChem CID:

126631814

Reduced:

NOH19C29 (1)

Stoich.:

ABC19D29 (1)

Weight, g/mol:

579.34207

ΔHf, kcal/mol:

91.24

Dipole, Da:

1.26

IP(EA), eV:

 -8.08(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-1-[7-[(E)-4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-4-oxobut-1-enyl]-5-methylquinolin-2-yl]ethyl] 1-(2-methylpropanoyl)diazinane-3-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)C5=CC=CC=C5O4)C6=CC7=CC=CC=C7C=C61

DOS

IR

Vibrations