Geometry & MOs

Info

ID:	22659
PubChem CID:	598233
Reduced:	OSN2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	298.113984
ΔH_f, kcal/mol:	33.49
Dipole, Da:	6.79
IP(EA), eV:	-8.7(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-1-naphthalen-1-yl-7,7a-dihydro-6H-pyrrolo[1,2-b][1,2,4]oxadiazole-2-thione

Drug info:

PubChemData

Smile

CC1(CCC2N1OC(=S)N2C3=CC=CC4=CC=CC=C43)C

DOS

IR

Vibrations