Geometry & MOs

Info

ID:	398443
PubChem CID:	135033338
Reduced:	NO6C18H23 (1)
Stoich.:	AB6C18D23 (1)
Weight, g/mol:	347.136887
ΔH_f, kcal/mol:	-222.0
Dipole, Da:	2.39
IP(EA), eV:	-8.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,3S,4R,6R)-4-(1,3-benzodioxol-5-yl)-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1C[C@@H]2[C@@H](O2)[C@H]([C@@H]1C3=CC4=C(C=C3)OCO4)O

DOS

IR

Vibrations