Geometry & MOs

Info

ID:	148965
PubChem CID:	53788636
Reduced:	FPN3O4C18H21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	387.189317
ΔH_f, kcal/mol:	-189.21
Dipole, Da:	6.98
IP(EA), eV:	-8.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydrophenoxazin-3-one

Drug info:

PubChemData

Smile

CC(C)CN1C2=C(C(=C(C=C2C3CC3)F)N)N=C1C4=C(OC=C4)P(=O)(O)O

DOS

IR

Vibrations