Geometry & MOs

Info

ID:	67960
PubChem CID:	46507512
Reduced:	Cl2O2S2N3H19C22 (1)
Stoich.:	A2B2C2D3E19F22 (1)
Weight, g/mol:	457.068547
ΔH_f, kcal/mol:	-20.45
Dipole, Da:	3.64
IP(EA), eV:	-8.58(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CN1C2=C(SC(=S)N2C3=CC=CC=C3C1=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations