Geometry & MOs

Info

ID:	142987
PubChem CID:	53128662
Reduced:	F2S2O3N4H16C21 (1)
Stoich.:	A2B2C3D4E16F21 (1)
Weight, g/mol:	466.113333
ΔH_f, kcal/mol:	-133.93
Dipole, Da:	3.72
IP(EA), eV:	-9.18(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-2-(2-ethylsulfanyl-5,7-dioxo-6-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C(S3)SC)N(C2=O)CC(=O)NC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations