Geometry & MOs

Info

ID:	143785
PubChem CID:	53260859
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	427.210721
ΔH_f, kcal/mol:	-45.24
Dipole, Da:	2.75
IP(EA), eV:	-9.49(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(prop-2-enyl) (1S,5R,9R,11S,16R)-5-cyano-15-methyl-10-oxa-12,13-diazatetracyclo[9.2.2.11,5.09,16]hexadec-14-ene-12,13-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C[C@]23CCO[C@H]4[C@@H]2[C@](CCC4)(C[C@H]1OO3)C#N

DOS

IR

Vibrations