Geometry & MOs

Info

ID:	188183
PubChem CID:	77679978
Reduced:	N2S2O5C24H28 (1)
Stoich.:	A2B2C5D24E28 (1)
Weight, g/mol:	289.150036
ΔH_f, kcal/mol:	-174.78
Dipole, Da:	4.47
IP(EA), eV:	-8.84(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,6-dimethyl-9-oxo-2,3,4,4a,5,7,8,9a-octahydro-1H-thioxanthen-3-yl)acetonitrile

Drug info:

PubChemData

Smile

CCC1CC2=C(CC1N3C(=O)C4=CC=CC=C4C3=O)C(=O)C5CCC(CC5S2)N(C)S(=O)O

DOS

IR

Vibrations