Geometry & MOs

Info

ID:

81025

PubChem CID:

49854265

Reduced:

SO3N7C19H25 (1)

Stoich.:

AB3C7D19E25 (1)

Weight, g/mol:

761.294845

ΔHf, kcal/mol:

-73.45

Dipole, Da:

3.28

IP(EA), eV:

 -8.53(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,5S,6S,9S,10S,18R)-5,18-dihydroxy-6-[[(1S)-3-methoxy-3-oxo-1-phenylpropyl]carbamoyl]-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-9-yl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C2CCC3=C(C2=N1)SC(=N3)NC(=O)N4C[C@@H](C[C@H]4C(=O)N)O

DOS

IR

Vibrations