Geometry & MOs

Info

ID:	390175
PubChem CID:	134997566
Reduced:	NSC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	290.076536
ΔH_f, kcal/mol:	51.15
Dipole, Da:	0.49
IP(EA), eV:	-8.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfanyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene

Drug info:

PubChemData

Smile

C1CCC(=CC1)S/N=C/C2=CC=CC=C2

DOS

IR

Vibrations