Geometry & MOs

Info

ID:

385783

PubChem CID:

134979974

Reduced:

NI2O4C34H41 (1)

Stoich.:

AB2C4D34E41 (1)

Weight, g/mol:

463.257003

ΔHf, kcal/mol:

-91.58

Dipole, Da:

4.68

IP(EA), eV:

 -8.52(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,5R,6S)-5-acetamido-3-(2,2-dimethylpropanoyloxy)-6-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC[C@H](C[C@@H]2CCC[C@@H]3N2[C@H](C[C@H](C3)OCC4=CC=CC=C4)C5=CC(=C(C=C5)OC)I)O)I

DOS

IR

Vibrations