Geometry & MOs

Info

ID:	230914
PubChem CID:	87572241
Reduced:	BrFN2O9C22H28 (1)
Stoich.:	ABC2D9E22F28 (1)
Weight, g/mol:	410.251531
ΔH_f, kcal/mol:	-395.15
Dipole, Da:	4.0
IP(EA), eV:	-9.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)O[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)OC)O)O)O)O)CC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations