Geometry & MOs

Info

ID:	394494
PubChem CID:	135023109
Reduced:	F2N3H9C14 (1)
Stoich.:	A2B3C9D14 (1)
Weight, g/mol:	454.311451
ΔH_f, kcal/mol:	9.32
Dipole, Da:	1.89
IP(EA), eV:	-9.19(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,9S,10E,11aS)-9-[tert-butyl(dimethyl)silyl]oxy-4-heptyl-2,2-dimethyl-3a,4,7,8,9,11a-hexahydro-[1,3]dioxolo[4,5-c]oxecin-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(=NN2)C3=CC=CC=C3F)F

DOS

IR

Vibrations