Geometry & MOs

Info

ID:	334630
PubChem CID:	127253305
Reduced:	ON3C24H27 (1)
Stoich.:	AB3C24D27 (1)
Weight, g/mol:	589.315186
ΔH_f, kcal/mol:	14.92
Dipole, Da:	7.22
IP(EA), eV:	-8.16(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-hydroxy-4-oxo-6-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]pyran-2-yl]-3-(4-octoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCCC(=O)NCCC3=CN(C4=CC=CC=C43)C

DOS

IR

Vibrations