Geometry & MOs

Info

ID:	299054
PubChem CID:	117670393
Reduced:	FC7H9 (1)
Stoich.:	AB7C9 (1)
Weight, g/mol:	430.107517
ΔH_f, kcal/mol:	-35.07
Dipole, Da:	2.58
IP(EA), eV:	-9.12(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[4-(aminomethyl)phenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CC=CC(=C1)F

DOS

IR

Vibrations