Geometry & MOs

Info

ID:	133703
PubChem CID:	51576618
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	416.173607
ΔH_f, kcal/mol:	-1.68
Dipole, Da:	1.25
IP(EA), eV:	-8.41(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10R,11S,15S,16R)-16-benzoyl-13-(2-methoxyethyl)-8-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione

Drug info:

PubChemData

Smile

C1CCN(CC1)[C@@H]\2CCC=CCC/C2=N/O

DOS

IR

Vibrations