Geometry & MOs

Info

ID:	52070
PubChem CID:	12014853
Reduced:	OPN3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	365.111556
ΔH_f, kcal/mol:	-17.77
Dipole, Da:	5.38
IP(EA), eV:	-8.24(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations