Geometry & MOs

Info

ID:	52068
PubChem CID:	12014851
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	333.139485
ΔH_f, kcal/mol:	44.36
Dipole, Da:	6.26
IP(EA), eV:	-9.03(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC2C=CC=C2)/N=C/C3C=CC=C3

DOS

IR

Vibrations