Geometry & MOs

Info

ID:	415654
PubChem CID:	135088653
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	469.280138
ΔH_f, kcal/mol:	-21.06
Dipole, Da:	3.84
IP(EA), eV:	-8.63(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13R,16S)-16-methyl-13-(2-methylpropyl)-19-phenyl-1,4,7,12,15,18,20-heptazabicyclo[15.3.0]icosa-17,19-diene-3,11,14-trione

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C4=C(C=CC=N4)C(=O)O

DOS

IR

Vibrations