Geometry & MOs

Info

ID:	242802
PubChem CID:	99206403
Reduced:	ClO2N5H16C22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	393.125946
ΔH_f, kcal/mol:	43.47
Dipole, Da:	9.7
IP(EA), eV:	-8.44(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-oxo-1H-pyrazolo[1,5-a]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1NC3=C2C=C(C=C3)Cl)C(=O)C4=CNN5C4=NC(=O)C6=CC=CC=C65

DOS

IR

Vibrations