Geometry & MOs

Info

ID:	43187
PubChem CID:	10319250
Reduced:	ClNSO4C20H22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	408.127406
ΔH_f, kcal/mol:	-149.52
Dipole, Da:	4.43
IP(EA), eV:	-9.09(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-10-phenyl-3a,10b-dihydropyrrolo[3,4-a]carbazole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C([C@H]([C@@H]([C@]2(N1C(=C)CS2)C)C(=O)OC)C3=CC(=CC=C3)Cl)C(=O)OC

DOS

IR

Vibrations