Geometry & MOs

Info

ID:	48125
PubChem CID:	10537330
Reduced:	S2O3H8C9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	228.151415
ΔH_f, kcal/mol:	-74.36
Dipole, Da:	5.29
IP(EA), eV:	-8.69(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2,3,5,6,7,8-hexahydroanthracen-1-one

Drug info:

PubChemData

Smile

CO/C(=C\1/C(=O)C2=C(CS1)SC=C2)/O

DOS

IR

Vibrations