Geometry & MOs

Info

ID:

148945

PubChem CID:

53788615

Reduced:

F2N2O5C28H34 (1)

Stoich.:

A2B2C5D28E34 (1)

Weight, g/mol:

642.340393

ΔHf, kcal/mol:

-278.86

Dipole, Da:

5.15

IP(EA), eV:

 -9.61(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[[1-[2-(2-oxo-1-phenylpyrrolidin-1-ium-1-yl)ethyl]imidazol-4-yl]amino]propan-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)C(C(=O)CC(C1=CC=CC=C1)(C(=O)OCC2=CC=CC=C2)NC(=O)[C@H](C(C)C)N)(F)F

DOS

IR

Vibrations