Geometry & MOs

Info

ID:	132585
PubChem CID:	51383414
Reduced:	Cl2O3N4H20C25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	399.158292
ΔH_f, kcal/mol:	25.01
Dipole, Da:	7.42
IP(EA), eV:	-8.54(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6R,7S)-7-benzoyl-4-(2,4-dimethylphenyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@@H]2CC(=C3C=CC=CC3=O)N=C4N2C=NN4)COC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations