Geometry & MOs

Info

ID:	67741
PubChem CID:	46507076
Reduced:	ClO3S3N4H17C22 (1)
Stoich.:	AB3C3D4E17F22 (1)
Weight, g/mol:	509.985723
ΔH_f, kcal/mol:	-23.16
Dipole, Da:	4.34
IP(EA), eV:	-8.82(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations