Geometry & MOs

Info

ID:	335212
PubChem CID:	127254073
Reduced:	FNO3C20H34 (1)
Stoich.:	ABC3D20E34 (1)
Weight, g/mol:	542.371973
ΔH_f, kcal/mol:	-194.56
Dipole, Da:	3.9
IP(EA), eV:	-9.81(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-7-[(1R,5R)-2-hydroxyimino-5-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptan-1-one

Drug info:

PubChemData

Smile

CCCCCC(/C=C/[C@H]1CCC(=NO)[C@@H]1CCCCCCC(=O)O)F

DOS

IR

Vibrations