Geometry & MOs

Info

ID:	309130
PubChem CID:	126538084
Reduced:	NO4C7H9 (1)
Stoich.:	AB4C7D9 (1)
Weight, g/mol:	455.230788
ΔH_f, kcal/mol:	-164.59
Dipole, Da:	4.94
IP(EA), eV:	-10.99(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-9-(6-hydroxyhexoxy)-10-methoxy-3,3-dimethyl-15-oxo-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid

Drug info:

PubChemData

Smile

COC(C1C=CC(=O)NC1=O)O

DOS

IR

Vibrations