Geometry & MOs

Info

ID:	427428
PubChem CID:	135158880
Reduced:	ON6C24H28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	438.16432
ΔH_f, kcal/mol:	38.97
Dipole, Da:	2.83
IP(EA), eV:	-8.52(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,3-benzothiazol-5-yl)-7-(4-propylpiperazin-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

Drug info:

PubChemData

Smile

CCC1=NC(=CN2C1=CC(=C2)C3=CC(=O)N4C=C(C=CC4=N3)N5C[C@@H](NC(C5)C)C)C

DOS

IR

Vibrations