Geometry & MOs

Info

ID:	67964
PubChem CID:	46507517
Reduced:	ClO2S2N3H20C22 (1)
Stoich.:	AB2C2D3E20F22 (1)
Weight, g/mol:	491.029575
ΔH_f, kcal/mol:	-14.2
Dipole, Da:	4.9
IP(EA), eV:	-8.6(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations