Geometry & MOs

Info

ID:	52071
PubChem CID:	12014854
Reduced:	PSN3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	424.181684
ΔH_f, kcal/mol:	14.65
Dipole, Da:	6.37
IP(EA), eV:	-8.49(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3aS)-2-phenyl-1-phenylimino-1-quinolin-8-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole

Drug info:

PubChemData

Smile

C1C[C@H]2CN([P@@](=S)(N2C1)C3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations