Geometry & MOs

Info

ID:	127795
PubChem CID:	51015898
Reduced:	OSN3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	374.147786
ΔH_f, kcal/mol:	-9.49
Dipole, Da:	3.01
IP(EA), eV:	-9.62(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (1R,5R)-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3

DOS

IR

Vibrations