Geometry & MOs

Info

ID:	170042
PubChem CID:	75187325
Reduced:	BrFON2S2H20C23 (1)
Stoich.:	ABCD2E2F20G23 (1)
Weight, g/mol:	495.145048
ΔH_f, kcal/mol:	-11.72
Dipole, Da:	4.1
IP(EA), eV:	-8.42(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[3-(2-fluorophenyl)-5-oxo-1-sulfanylidene-5a,6,7,8,9,9a-hexahydro-[1,3]thiazolo[3,4-a]quinazolin-4-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C3=C(SC(=S)N23)C4=CC=CC=C4F)CC5=CC(=CC=C5)Br

DOS

IR

Vibrations