Geometry & MOs

Info

ID:	120767
PubChem CID:	50743824
Reduced:	ClFOSN2H18C21 (1)
Stoich.:	ABCDE2F18G21 (1)
Weight, g/mol:	380.135863
ΔH_f, kcal/mol:	-11.77
Dipole, Da:	2.42
IP(EA), eV:	-9.09(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2(CC1)N=C(C(=S)N2C(=O)C3=CC(=CC=C3)F)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations