Geometry & MOs

Info

ID:

391014

PubChem CID:

135002234

Reduced:

N2O11C39H60 (1)

Stoich.:

A2B11C39D60 (1)

Weight, g/mol:

722.398975

ΔHf, kcal/mol:

-547.91

Dipole, Da:

3.55

IP(EA), eV:

 -9.52(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6R)-6-[[(1R)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-formylamino]-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC1[C@@H](C(C([C@@H](O1)N(C=O)[C@H](C2=CC=CC=C2)C(=O)NC(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations