Geometry & MOs

Info

ID:	230916
PubChem CID:	87572245
Reduced:	FN2O9C24H33 (1)
Stoich.:	AB2C9D24E33 (1)
Weight, g/mol:	410.251531
ΔH_f, kcal/mol:	-409.6
Dipole, Da:	2.73
IP(EA), eV:	-9.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(O)OC2=NN(C(=C2CC3=CC(=C(C=C3)C)F)C)C(C)C)O)O)O

DOS

IR

Vibrations