Geometry & MOs

Info

ID:	305038
PubChem CID:	124766452
Reduced:	NO4C20H30 (1)
Stoich.:	AB4C20D30 (1)
Weight, g/mol:	542.080012
ΔH_f, kcal/mol:	-128.03
Dipole, Da:	2.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750927
Charge, e:	0

Chem-info

IUPAC name:

(2R,6R,8R,12R)-4,10-bis(3-chlorophenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone

Drug info:

PubChemData

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C[N@@+]12CCCC[C@H]1[C@@H](CCC2)COC(=O)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations