Geometry & MOs

Info

ID:	67749
PubChem CID:	46507089
Reduced:	ClO2S3N4H19C22 (1)
Stoich.:	AB2C3D4E19F22 (1)
Weight, g/mol:	458.034117
ΔH_f, kcal/mol:	0.26
Dipole, Da:	6.03
IP(EA), eV:	-8.72(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)SC(=S)N3C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations