Geometry & MOs

Info

ID:	447813
PubChem CID:	135285955
Reduced:	SF3O3N5H22C26 (1)
Stoich.:	AB3C3D5E22F26 (1)
Weight, g/mol:	393.184112
ΔH_f, kcal/mol:	-132.57
Dipole, Da:	9.12
IP(EA), eV:	-8.99(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,11aS)-8-(6-methoxypyridin-3-yl)-1-phenyl-4,4a,11,11a-tetrahydro-1H-isoindolo[2,1-a]benzimidazole

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1C2=NC=C(C=N2)C3=CC4=C(C=C3F)N=C5N4[C@H]([C@@H]6[C@H]5C6)C7=CC=CC=C7OC(F)F

DOS

IR

Vibrations