Geometry & MOs

Info

ID:	404617
PubChem CID:	135067898
Reduced:	NO5C28H31 (1)
Stoich.:	AB5C28D31 (1)
Weight, g/mol:	291.092915
ΔH_f, kcal/mol:	-89.89
Dipole, Da:	9.53
IP(EA), eV:	-9.12(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-10-oxa-9lambda6-thia-8-azatricyclo[5.5.0.01,3]dodec-7-ene 9,9-dioxide

Drug info:

PubChemData

Smile

CC1=CC(=C[C@@]2([C@H]1[C@]3([C@@H]2C4=CC=C(C=C4)[N+](=O)[O-])C[C@@H](OC3)C5=C(C(=O)C(=C(O5)C)C)C)C)C

DOS

IR

Vibrations