Geometry & MOs

Info

ID:

79989

PubChem CID:

49832035

Reduced:

SH14C19 (1)

Stoich.:

AB14C19 (1)

Weight, g/mol:

563.309432

ΔHf, kcal/mol:

130.81

Dipole, Da:

0.71

IP(EA), eV:

 -8.84(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2R,3S,4R,5S,6S,10S,11S,12R,18R)-4,5-diacetyloxy-14-ethyl-6,10-dimethoxy-12-(methoxymethyl)-14-azapentacyclo[10.3.3.12,5.01,11.03,8]nonadec-8-en-18-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C#CC2=CSC=C2)C3=CC=CC=C3

DOS

IR

Vibrations