Geometry & MOs

Info

ID:	194633
PubChem CID:	78566761
Reduced:	FOSN7C19H20 (1)
Stoich.:	ABCD7E19F20 (1)
Weight, g/mol:	316.07693
ΔH_f, kcal/mol:	44.61
Dipole, Da:	4.65
IP(EA), eV:	-9.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-yl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=NNC1=NC(=NN1)SCC(=O)NCCC2=CC=C(C=C2)F)C3=CC=CC=N3

DOS

IR

Vibrations