Geometry & MOs

Info

ID:	187779
PubChem CID:	77622165
Reduced:	SN2O6H32C33 (1)
Stoich.:	AB2C6D32E33 (1)
Weight, g/mol:	181.09636
ΔH_f, kcal/mol:	-174.11
Dipole, Da:	14.91
IP(EA), eV:	-8.91(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodec-9-en-7-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=CC=C(C=C2)S(=O)(=O)N3C(CC4=CC=CC=C43)C(=O)NCCOC5=CC=C(C=C5)CC(=O)O

DOS

IR

Vibrations