Geometry & MOs

Info

ID:	120766
PubChem CID:	50743820
Reduced:	ClFOSN2H20C22 (1)
Stoich.:	ABCDE2F20G22 (1)
Weight, g/mol:	400.08124
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	1.99
IP(EA), eV:	-9.06(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-3-sulfanylidene-1,4-diazaspiro[4.5]dec-1-en-4-yl]-(3-fluorophenyl)methanone

Drug info:

PubChemData

Smile

C1CCCC2(CC1)N=C(C(=S)N2C(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

DOS

IR

Vibrations