Geometry & MOs

Info

ID:	120770
PubChem CID:	50743949
Reduced:	ClSN2O2H17C19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	370.095141
ΔH_f, kcal/mol:	-3.36
Dipole, Da:	3.14
IP(EA), eV:	-8.87(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)-[2-(4-fluorophenyl)-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl]methanone

Drug info:

PubChemData

Smile

CC1(N=C(C(=S)N1C(=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations