Geometry & MOs

Info

ID:

388941

PubChem CID:

134990674

Reduced:

SN5O7C21H25 (1)

Stoich.:

AB5C7D21E25 (1)

Weight, g/mol:

1107.577074

ΔHf, kcal/mol:

-195.53

Dipole, Da:

8.36

IP(EA), eV:

 -9.67(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-2-(1-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9,12-bis(triethylsilyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)[C@@H](C3=CC=CC=C3)N=[N+]=[N-])(C)C

DOS

IR

Vibrations