Geometry & MOs

Info

ID:	31816
PubChem CID:	3719596
Reduced:	ClS2N3O3C26H26 (1)
Stoich.:	AB2C3D3E26F26 (1)
Weight, g/mol:	453.137636
ΔH_f, kcal/mol:	-14.06
Dipole, Da:	6.21
IP(EA), eV:	-8.76(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCOC)C4=CC=CC=C4)Cl

DOS

IR

Vibrations