Geometry & MOs

Info

ID:	67963
PubChem CID:	46507516
Reduced:	O2S2F3N3H18C22 (1)
Stoich.:	A2B2C3D3E18F22 (1)
Weight, g/mol:	457.068547
ΔH_f, kcal/mol:	-161.55
Dipole, Da:	5.47
IP(EA), eV:	-8.7(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide

Drug info:

PubChemData

Smile

CCCNC(=O)CN1C2=C(SC(=S)N2C3=CC=CC=C3C1=O)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations