Geometry & MOs

Info

ID:	46832
PubChem CID:	10527686
Reduced:	ClFN3O5C21H25 (1)
Stoich.:	ABC3D5E21F25 (1)
Weight, g/mol:	452.968604
ΔH_f, kcal/mol:	-230.69
Dipole, Da:	4.52
IP(EA), eV:	-9.26(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-3-[(E)-3-(4-chloro-3-nitroanilino)-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=CC(=C(C(=C21)Cl)N3CCN(C(C3)C)C(=O)OCC)F)C(=O)OC

DOS

IR

Vibrations