Geometry & MOs

Info

ID:	396315
PubChem CID:	135028050
Reduced:	Cl2N3O4H17C21 (1)
Stoich.:	A2B3C4D17E21 (1)
Weight, g/mol:	298.178024
ΔH_f, kcal/mol:	-54.46
Dipole, Da:	4.81
IP(EA), eV:	-9.42(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)C(/C=C/C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)OC

DOS

IR

Vibrations