Geometry & MOs

Info

ID:	320379
PubChem CID:	126660085
Reduced:	NO2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	568.387623
ΔH_f, kcal/mol:	-71.67
Dipole, Da:	3.58
IP(EA), eV:	-9.47(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S,9S,11R,13R,16R,17S,25R,26R)-17-amino-7-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-9,25-dimethyl-12-oxa-7-azaoctacyclo[14.11.0.01,3.03,13.05,13.06,11.017,26.020,25]heptacos-20-en-22-one

Drug info:

PubChemData

Smile

C1CC(ONC1)C2CCCO2

DOS

IR

Vibrations