Geometry & MOs

Info

ID:	144362
PubChem CID:	53355226
Reduced:	ON2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	404.183503
ΔH_f, kcal/mol:	46.21
Dipole, Da:	4.6
IP(EA), eV:	-8.28(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,5S,8R,9S,13R,14S,15R,19S)-13,14-dihydroxy-16,16-dimethyl-6-methylidene-7-oxo-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-19-yl] acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=C(N=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations