Geometry & MOs

Info

ID:	19925
PubChem CID:	575151
Reduced:	FN2S2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	320.081719
ΔH_f, kcal/mol:	0.36
Dipole, Da:	5.07
IP(EA), eV:	-8.96(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(3-fluorophenyl)-1,5-dithiaspiro[5.5]undec-3-ene-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCC2(CC1)SC(C(=C(S2)N)C#N)C3=CC(=CC=C3)F

DOS

IR

Vibrations