Geometry & MOs

Info

ID:	144248
PubChem CID:	53337738
Reduced:	BrClO2N4C19H22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	335.993515
ΔH_f, kcal/mol:	-46.97
Dipole, Da:	8.5
IP(EA), eV:	-8.69(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(4-ethoxyphenyl)-2,5-bis(sulfanylidene)-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-olate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C(=O)N(N=C2)CC(=O)NC3=CC(=C(C=C3)C)Br)Cl

DOS

IR

Vibrations