Geometry & MOs

Info

ID:

162608

PubChem CID:

57410719

Reduced:

O2N3C35H35 (1)

Stoich.:

A2B3C35D35 (1)

Weight, g/mol:

892.399369

ΔHf, kcal/mol:

-8.48

Dipole, Da:

4.23

IP(EA), eV:

 -8.57(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H]2[C@H](C1)C3=C(C4=CC=CC=C4C5=NC6=C(C=C(C=C6)C(=O)NCCC7=CC=CC=C7)N=C35)OC2(C)C

DOS

IR

Vibrations