Geometry & MOs

Info

ID:	304700
PubChem CID:	124766071
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	441.262757
ΔH_f, kcal/mol:	-144.78
Dipole, Da:	1.05
IP(EA), eV:	-9.32(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5S,6S,7R)-2-N,6-N-dicyclohexyl-3-cyclopropyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](N[C@H]2C3=CC=CC=C3C)(C)C(=O)OC

DOS

IR

Vibrations