Geometry & MOs

Info

ID:	73871
PubChem CID:	48420865
Reduced:	ClSO2N3H10C16 (1)
Stoich.:	ABC2D3E10F16 (1)
Weight, g/mol:	390.001196
ΔH_f, kcal/mol:	28.32
Dipole, Da:	10.09
IP(EA), eV:	-9.36(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-1,3-thiazol-5-yl)-3-oxo-2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)C(C#N)C(=O)C3=C(N=CS3)Cl

DOS

IR

Vibrations