Geometry & MOs

Info

ID:	383316
PubChem CID:	134974962
Reduced:	O5C16H22 (1)
Stoich.:	A5B16C22 (1)
Weight, g/mol:	315.143035
ΔH_f, kcal/mol:	-188.49
Dipole, Da:	6.26
IP(EA), eV:	-8.59(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,6S,6aR)-6-(azidomethyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)CC[C@]2(C(=C(C(=O)O2)C)OCOC)C

DOS

IR

Vibrations