Geometry & MOs

Info

ID:

80949

PubChem CID:

49854053

Reduced:

SO2N7C20H27 (1)

Stoich.:

AB2C7D20E27 (1)

Weight, g/mol:

569.262482

ΔHf, kcal/mol:

-39.73

Dipole, Da:

3.53

IP(EA), eV:

 -8.51(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,5S,6R,9S,10S,18R)-9-acetyloxy-5,18-dihydroxy-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-6-yl]methyl 2-methylpropanoate

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C2CCC3=C(C2=N1)SC(=N3)NC(=O)N4C(CCC4C(=O)N)C

DOS

IR

Vibrations