Geometry & MOs

Info

ID:	200580
PubChem CID:	79412810
Reduced:	FSO2N3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	316.106791
ΔH_f, kcal/mol:	8.07
Dipole, Da:	7.32
IP(EA), eV:	-8.57(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CCCC1=C(SC(=C1N)C#N)C2=C(C=CC(=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations