Geometry & MOs

Info

ID:	305155
PubChem CID:	124766589
Reduced:	ClNO3H28C32 (1)
Stoich.:	ABC3D28E32 (1)
Weight, g/mol:	309.136493
ΔH_f, kcal/mol:	-41.61
Dipole, Da:	5.33
IP(EA), eV:	-9.46(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6R,7S,8R,10S)-4-(2-ethoxyphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione

Drug info:

PubChemData

Smile

CC[C@]12[C@@H]3[C@H](C(=O)N(C3=O)C4=C(C(=CC=C4)Cl)C)[C@](C1=O)(C(=C2C5=CC=CC=C5)C6=CC=CC=C6)CC

DOS

IR

Vibrations