Geometry & MOs

Info

ID:	395114
PubChem CID:	135024682
Reduced:	SN4O4H8C14 (1)
Stoich.:	AB4C4D8E14 (1)
Weight, g/mol:	312.03611
ΔH_f, kcal/mol:	102.48
Dipole, Da:	6.8
IP(EA), eV:	-9.88(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,8S,10S)-4-bromo-7-oxotricyclo[6.2.2.01,6]dodec-5-ene-10-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NSC(=N2)C3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations