Geometry & MOs

Info

ID:	398621
PubChem CID:	135034339
Reduced:	NOC11H12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	803.330561
ΔH_f, kcal/mol:	25.8
Dipole, Da:	4.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.901332
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5R)-2-[(2R,3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] benzoate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=CC=[C]2

DOS

IR

Vibrations