Geometry & MOs

Info

ID:	404657
PubChem CID:	135068697
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	844.393496
ΔH_f, kcal/mol:	12.09
Dipole, Da:	5.94
IP(EA), eV:	-9.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-[[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]amino]butanoate

Drug info:

PubChemData

Smile

CCOC1=NC2=C(CC1)C=C(C=C2)C#N

DOS

IR

Vibrations