Geometry & MOs

Info

ID:	128058
PubChem CID:	51029201
Reduced:	Cl2N2O3H14C17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	385.116152
ΔH_f, kcal/mol:	-61.03
Dipole, Da:	3.09
IP(EA), eV:	-9.38(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl (1R,2R,6R,7R)-4-(4-methoxyphenyl)-3,5,9-trioxo-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-ene-11-carboxylate

Drug info:

PubChemData

Smile

CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]2C1=O)[C@H]4[C@@H]3C(=NO4)C5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations