Geometry & MOs

Info

ID:	219389
PubChem CID:	85148350
Reduced:	FS2O3N6C20H23 (1)
Stoich.:	AB2C3D6E20F23 (1)
Weight, g/mol:	478.171499
ΔH_f, kcal/mol:	-65.84
Dipole, Da:	4.24
IP(EA), eV:	-8.69(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(2,4,5-triphenyl-2,3-dihydro-1H-pyrrol-3-yl)methylidene]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C(=S)N2CCN(CC2)C3=C(C=C(C=C3)N4CC(OC4=O)CNC(=S)C)F

DOS

IR

Vibrations