Geometry & MOs

Info

ID:	342391
PubChem CID:	127265214
Reduced:	ClSN3O4H6C11 (1)
Stoich.:	ABC3D4E6F11 (1)
Weight, g/mol:	336.104482
ΔH_f, kcal/mol:	0.88
Dipole, Da:	2.67
IP(EA), eV:	-9.79(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-ethylindazol-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1C(=O)O)C=CC2=NC=C(S2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations