Geometry & MOs

Info

ID:	67709
PubChem CID:	46507013
Reduced:	O3S3N4C24H24 (1)
Stoich.:	A3B3C4D24E24 (1)
Weight, g/mol:	520.05091
ΔH_f, kcal/mol:	-33.24
Dipole, Da:	9.95
IP(EA), eV:	-8.39(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)SC(=S)N3C4=CC=C(C=C4)OCC

DOS

IR

Vibrations