Geometry & MOs

Info

ID:	67745
PubChem CID:	46507083
Reduced:	Cl2O2S3N4H16C21 (1)
Stoich.:	A2B2C3D4E16F21 (1)
Weight, g/mol:	509.985723
ΔH_f, kcal/mol:	0.66
Dipole, Da:	8.0
IP(EA), eV:	-8.65(-1.52)
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-(2,5-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations