Geometry & MOs

Info

ID:	312382
PubChem CID:	126604531
Reduced:	FNOH12C15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	200.065972
ΔH_f, kcal/mol:	-20.56
Dipole, Da:	5.75
IP(EA), eV:	-9.37(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1,2-dihydrobenzo[e][1]benzothiole

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)F)C(=O)C3=CC=CC=C3CN1

DOS

IR

Vibrations