Geometry & MOs

Info

ID:	67958
PubChem CID:	46507509
Reduced:	ClOF2N2S2H13C23 (1)
Stoich.:	ABC2D2E2F13G23 (1)
Weight, g/mol:	457.068547
ΔH_f, kcal/mol:	-22.22
Dipole, Da:	2.04
IP(EA), eV:	-8.6(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C3=C(SC(=S)N23)C4=CC=CC=C4Cl)CC5=CC(=CC(=C5)F)F

DOS

IR

Vibrations