Geometry & MOs

Info

ID:	340870
PubChem CID:	127263305
Reduced:	NOCl2F2C8H9 (1)
Stoich.:	ABC2D2E8F9 (1)
Weight, g/mol:	348.175686
ΔH_f, kcal/mol:	-172.7
Dipole, Da:	3.7
IP(EA), eV:	-10.05(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aR,8S,8aR)-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CN)OC(F)F.Cl

DOS

IR

Vibrations