Geometry & MOs

Info

ID:	73868
PubChem CID:	48420860
Reduced:	ClO3N4H17C20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	376.048625
ΔH_f, kcal/mol:	0.37
Dipole, Da:	2.03
IP(EA), eV:	-9.57(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(diethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC#N)OCC(=O)OC(CN2C=NC=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations