Geometry & MOs

Info

ID:	361206
PubChem CID:	127302161
Reduced:	FO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-55.3
Dipole, Da:	7.18
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-methyl-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCC(CC3)CC4=CC(=CC=C4)F

DOS

IR

Vibrations