Geometry & MOs

Info

ID:	404763
PubChem CID:	135070639
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	228.063388
ΔH_f, kcal/mol:	-29.86
Dipole, Da:	4.73
IP(EA), eV:	-9.41(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (5R)-7-oxo-6-oxabicyclo[3.2.0]heptane-3,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H]([C@@H](C#N)C1=CC=CC=C1)NCC2=CC=CC=C2

DOS

IR

Vibrations