Geometry & MOs

Info

ID:	67740
PubChem CID:	46507075
Reduced:	Cl2O2S3N4H14C20 (1)
Stoich.:	A2B2C3D4E14F20 (1)
Weight, g/mol:	516.015132
ΔH_f, kcal/mol:	9.11
Dipole, Da:	5.16
IP(EA), eV:	-8.78(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-2-[[3-(4-chlorophenyl)-6-methyl-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=CC=C3)Cl)N(C(=S)S2)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations