Geometry & MOs

Info

ID:	192965
PubChem CID:	78330051
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	499.06942
ΔH_f, kcal/mol:	-27.23
Dipole, Da:	4.86
IP(EA), eV:	-8.94(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-2-sulfanylidene-7aH-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CCCN2C(=O)C3C=CC=CC3=NC2=S

DOS

IR

Vibrations