Geometry & MOs

Info

ID:	67744
PubChem CID:	46507082
Reduced:	ClFO2S3N4H14C20 (1)
Stoich.:	ABC2D3E4F14G20 (1)
Weight, g/mol:	521.981245
ΔH_f, kcal/mol:	-27.62
Dipole, Da:	5.51
IP(EA), eV:	-8.66(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-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=C3F)N(C(=S)S2)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations