Geometry & MOs

Info

ID:	23124
PubChem CID:	602122
Reduced:	NOSC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	235.103085
ΔH_f, kcal/mol:	46.83
Dipole, Da:	4.35
IP(EA), eV:	-8.52(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-thia-3-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8)-dien-4-one

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC3=C2NC(=O)CCC3

DOS

IR

Vibrations