Geometry & MOs

Info

ID:	404859
PubChem CID:	135071528
Reduced:	N2O7C16H20 (1)
Stoich.:	A2B7C16D20 (1)
Weight, g/mol:	266.097666
ΔH_f, kcal/mol:	-210.41
Dipole, Da:	8.22
IP(EA), eV:	-9.63(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aS)-2,2-dimethyl-6-phenylsulfanyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(=O)N(C)C1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCC

DOS

IR

Vibrations