Geometry & MOs

Info

ID:

44664

PubChem CID:

10505180

Reduced:

N3O5C28H31 (1)

Stoich.:

A3B5C28D31 (1)

Weight, g/mol:

489.258734

ΔHf, kcal/mol:

-138.6

Dipole, Da:

7.24

IP(EA), eV:

 -8.58(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-2-amino-3-[[2-[3-[4-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=N1)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2)C3=CN(C4=CC=CC=C43)C

DOS

IR

Vibrations