Geometry & MOs

Info

ID:	388875
PubChem CID:	134990501
Reduced:	BrN2O8C14H17 (1)
Stoich.:	AB2C8D14E17 (1)
Weight, g/mol:	260.125988
ΔH_f, kcal/mol:	-326.79
Dipole, Da:	4.28
IP(EA), eV:	-9.87(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O)/Br

DOS

IR

Vibrations