Geometry & MOs

Info

ID:	67721
PubChem CID:	46507032
Reduced:	O3S3N4C24H24 (1)
Stoich.:	A3B3C4D24E24 (1)
Weight, g/mol:	509.051325
ΔH_f, kcal/mol:	-34.2
Dipole, Da:	9.32
IP(EA), eV:	-8.39(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)NCC4=CC=C(C=C4)C)C)SC2=S

DOS

IR

Vibrations