Geometry & MOs

Info

ID:	120765
PubChem CID:	50743813
Reduced:	ClSN2O2H21C22 (1)
Stoich.:	ABC2D2E21F22 (1)
Weight, g/mol:	414.09689
ΔH_f, kcal/mol:	-6.27
Dipole, Da:	2.26
IP(EA), eV:	-8.95(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[2-(4-fluorophenyl)-3-sulfanylidene-1,4-diazaspiro[4.6]undec-1-en-4-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3(CCCCC3)N(C2=S)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations