Geometry & MOs

Info

ID:	305099
PubChem CID:	124766522
Reduced:	ClSN3O6H16C19 (1)
Stoich.:	ABC3D6E16F19 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	-60.92
Dipole, Da:	6.79
IP(EA), eV:	-9.57(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]2CNC3=C(C=CC(=C3[C@H]2[C@@H]([C@H]1SC4=CC=CC=C4[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations