Geometry & MOs

Info

ID:

383039

PubChem CID:

134974535

Reduced:

NSO2C19H21 (1)

Stoich.:

ABC2D19E21 (1)

Weight, g/mol:

821.311951

ΔHf, kcal/mol:

-10.38

Dipole, Da:

4.24

IP(EA), eV:

 -7.41(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-[[1-[(2R,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]triazol-4-yl]methylamino]butanoate

Drug info:

PubChemData

Smile

CC1C[C@@H]2[C@H]1C3=C(C(=CC(=C3)C)OC)N=[S+]2(C4=CC=CC=C4)[O-]

DOS

IR

Vibrations