Geometry & MOs

Info

ID:	393410
PubChem CID:	135020479
Reduced:	NOC3H3 (5)
Stoich.:	ABC3D3 (5)
Weight, g/mol:	419.16925
ΔH_f, kcal/mol:	-27.32
Dipole, Da:	5.18
IP(EA), eV:	-10.12(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S,6R)-6-acetamido-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-2-en-1-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H](CC=C[C@@H]1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N=[N+]=[N-]

DOS

IR

Vibrations